tripropyl phosphorotrithioite
benzene-1,2-diol
A
2,2-'spirobi(1,3,2-benzodioxaphosphole)
B
1-thiopropane
Conditions | Yield |
---|---|
at 90 - 95℃; under 0.02 Torr; for 0.5h; | A 72% B 96% |
ethylene glycol
A
1-thiopropane
B
1,4,6,9-tetraoxa-5λ5-phosphaspiro[4,4]nonane
C
diethylamine
Conditions | Yield |
---|---|
at 120 - 130℃; for 1h; | A n/a B 90% C n/a |
at 120 - 130℃; for 1h; Product distribution; | A n/a B 90% C n/a |
dipropyl phenylphosphoramidodithioite
A
1-thiopropane
B
tripropyl phosphorotrithioite
C
aniline
Conditions | Yield |
---|---|
at 175 - 180℃; for 10h; | A 0.7 g B 89% C 71% |
at 175 - 180℃; for 10h; Product distribution; other reagent: water; presence of solvent: dioxane; other temperature and reaction time.; | A 0.7 g B 89% C 71% |
Conditions | Yield |
---|---|
Stage #1: propyl bromide With thiourea In ethanol for 3h; Heating; Stage #2: With sodium hydroxide In ethanol for 2h; Heating; | 86% |
With potassium hydroxide; hydrogen sulfide | |
With hydrogen sulfide; sodium ethanolate zuletzt bei Siedetemperatur; | |
With ethanol; potassium hydrosulfide | |
With thiourea In ethanol Reflux; |
phenyl isothiocyanate
dipropyl phenylphosphoramidodithioite
A
1-thiopropane
B
tripropyl phosphorotrithioite
C
N,N-diphenylthiourea
Conditions | Yield |
---|---|
In hexane for 3h; Heating; | A n/a B 83% C 59% |
Conditions | Yield |
---|---|
With tetraphosphorus decasulfide In toluene for 2h; Reflux; | 78% |
dipropyl diethylphosphoramidodithioite
benzene-1,2-diol
A
1-thiopropane
Conditions | Yield |
---|---|
at 65℃; in the vacuum of an oil pump; | A 75% B 77% |
dipropyl phenylphosphoramidodithioite
A
1-thiopropane
B
tripropyl phosphorotrithioite
C
anilinium dihydrogen phosphite
D
aniline
Conditions | Yield |
---|---|
With water In 1,4-dioxane for 72h; Further byproducts given; | A n/a B 61% C 67% D 26% |
4-Hydroxy-4-methyl-2-pentanone
Ethylthiophosphinsaeure-propylester-chlorid
A
1-thiopropane
B
2-ethyl-3,3,5-trimethyl-1,2-oxaphosphol-4-ene 2-oxide
C
(1,1-Dimethyl-3-oxo-butyl)-ethyl-phosphinothioic acid S-propyl ester
Conditions | Yield |
---|---|
A 10% B 11% C 56% |
1,4-di(n-propyl)tetrasulfane
A
1,2-dithiole-3-thione
B
1-thiopropane
C
propyl sulfide
D
Dipropyl disulfide
Conditions | Yield |
---|---|
at 350℃; | A 52% B 14% C 4% D 15% |
4-Hydroxy-4-methyl-2-pentanone
S-propylphenylchlorothiophosphonite
A
1-thiopropane
B
3,3,5-trimethyl-2-phenyl-1,2-oxaphospholene 2-oxide
C
(1,1-Dimethyl-3-oxo-butyl)-phenyl-phosphinothioic acid S-propyl ester
Conditions | Yield |
---|---|
A 43% B 46% C 25% |
A
1,2-dithiole-3-thione
B
1-thiopropane
C
propyl sulfide
D
Dipropyl disulfide
Conditions | Yield |
---|---|
at 350℃; | A 44% B 13% C 3% D 7% |
Conditions | Yield |
---|---|
at 310°C; | 32.5% |
dipropyl trisulfide
A
1,2-dithiole-3-thione
B
1-thiopropane
C
propyl sulfide
D
Dipropyl disulfide
Conditions | Yield |
---|---|
at 350℃; | A 29% B 11% C 2% D 6% |
at 350℃; Product distribution; other polysulfides; var. temp.; |
Conditions | Yield |
---|---|
With hydrogen sulfide; thorium dioxide | |
With aluminum sulfide at 310℃; | |
With hydrogen sulfide; thorium dioxide at 300 - 360℃; | |
With sodium sulfide; phosphorus; sodium sulfate bei allmaehlichem Zufliessenlassen von Brom unter maessiger Kuehlung; |
Conditions | Yield |
---|---|
With phosphorous (V) sulfide at 180℃; |
propene
1-thiopropane
Conditions | Yield |
---|---|
With hydrogen sulfide at 0℃; Irradiation.mit UV-Licht; | |
With hydrogen sulfide; tetraethyllead(IV) Irradiation.mit UV-Licht; | |
With hydrogen sulfide; acetone Irradiation.mit UV-Licht; |
Conditions | Yield |
---|---|
With kieselguhr; nickel(II) sulfide; hydrogen sulfide at 250 - 300℃; | |
With kieselguhr; nickel(II) sulfide; hydrogen sulfide at 250 - 300℃; |
Conditions | Yield |
---|---|
With potassium hydroxide |
Conditions | Yield |
---|---|
With ammonia; sodium | |
With hydrogen In acetone at -78℃; under 4 Torr; Mechanism; other alkyl sulfides and alkyl substituted-benzyl sulfides, competition with various alkyl sulfides, rate of disappearance relative to various alkyl sulfides, microwave generation of H from H2, other reagent: atomic deuterium; |
benzyl-dithiocarbamic acid propyl ester
A
1-thiopropane
B
Benzyl isothiocyanate
Conditions | Yield |
---|---|
Zerfaellt beim Erhitzen im Vakuum oder unter gewoehnlichem Druck; |
Conditions | Yield |
---|---|
at 138 - 139℃; | |
at 180℃; |
Conditions | Yield |
---|---|
With 1-methyl-1-propanethiol Equilibrium constant; | |
With ammonia; sodium | |
With naphtha at 496℃; |
Conditions | Yield |
---|---|
bei der Einw. von Penicillium brevicaule Saccardo; | |
With water bei der Einw. von Penicillium brevicaule Saccardo; |
propene
A
1-thiopropane
B
propyl sulfide
C
n-propyl isopropyl sulfide
D
2-propanethiol
Conditions | Yield |
---|---|
With benzophenone; hydrogen sulfide; phosphorous acid trimethyl ester In diethylene glycol dimethyl ether at 10℃; for 4h; Product distribution; Irradiation; variation of reagents and solvents (t. butanol, benzene); |
Conditions | Yield |
---|---|
With sodium hydroxide at 25℃; Rate constant; ionic strength 0.1M, 0.8percent (v/v) acetonitrile; |
O-ethyl S-n-propyl phenylphosphonothioate
A
1-thiopropane
B
diethyl phenylphosphonate
C
ethyl Phenylphosphinate
D
ethyl hydrogen phenylphosphonate
E
O-ethyl phenylphosphonothioic acid
F
Dipropyl disulfide
Conditions | Yield |
---|---|
In ethanol for 0.166667h; Mechanism; Product distribution; Irradiation; variation of time; |
S-propyl O-ethyl dithiocarbonate
A
thiophene
B
carbon disulfide
C
1-thiopropane
D
Dithiocarbonic acid S-ethyl ester S-propyl ester
Conditions | Yield |
---|---|
at 500℃; Yield given. Yields of byproduct given; |
Conditions | Yield |
---|---|
With sodium methylate at 0 - 20℃; Michael reaction; | 100% |
With KF/basic alumina In dichloromethane Michael condensation; Sonication; | 88% |
With sodium hydroxide |
1-thiopropane
N-methyl-N-tert-butyldimethylsilyl-1,1,1-trifluoroacetamide
tert-Butyl-dimethyl-propylsulfanyl-silane
Conditions | Yield |
---|---|
With tert-butyldimethylsilyl chloride In acetonitrile for 0.0833333h; Product distribution; Ambient temperature; other tert-butyldimethylsilyl- donors; other thiols; | 100% |
With tert-butyldimethylsilyl chloride In acetonitrile for 0.0833333h; Ambient temperature; other silylating agent; | 100% |
Conditions | Yield |
---|---|
In ammonia for 1h; | 100% |
1-thiopropane
1-ethylsulfinyl-2-nitrocyclopentene
1-nitro-2-propylthiocyclopentene
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at -78℃; for 0.916667h; | 100% |
1-thiopropane
4'-but-3-enyl-4-methyl-2,2'-bipyridinyl
Conditions | Yield |
---|---|
With 2,2'-azobis(isobutyronitrile) In chloroform for 12h; Heating; | 100% |
Conditions | Yield |
---|---|
In tetrahydrofuran to soln. of Fe2(CH3S)2(NO)4 in THF is added n-C3H7SH, mixt. is stirred under N2 for 72 h; solvent and volatile products are removed under vac., residue is dissolved in CDCl3 and examined by (1)H NMR; | 100% |
Conditions | Yield |
---|---|
In benzene under N2, dropwise addn. of thiol soln. to a suspension of GaCl3 in benzene, dissoln. of GaCl3, stirred for 15 min at room temp.; evapn. of solvent, dried in vac. at room temp. for 3h, elem. anal.; | 100% |
Conditions | Yield |
---|---|
In benzene under N2, dropwise addn. of thiol soln. to a suspension of GaBr3 in benzene, dissoln. of GaBr3, stirred for 15 min at room temp.; evapn. of solvent, dried in vac. at room temp. for 3h, elem. anal.; | 100% |
Conditions | Yield |
---|---|
In benzene under N2, dropwise addn. of thiol soln. to a suspension of GaI3 in benzene, dissoln. of GaI3, stirred for 15 min at room temp.; evapn. of solvent, dried in vac. at room temp. for 3h, elem. anal.; | 100% |
Conditions | Yield |
---|---|
In benzene under N2, dropwise addn. of thiol soln. to a suspension of AlI3 in benzene, dissoln. of AlI3, stirred for 15 min at room temp.; evapn. of solvent, dried in vac. at room temp. for 3h, elem. anal.; | 100% |
Conditions | Yield |
---|---|
In benzene byproducts: CH4; (under N2); the thiol is introduced into a soln. of MeGaI2 in benzene; the solvent is evapd., the residue is washed, dried; elem. anal.; | 100% |
1-thiopropane
N-adamantan-1-yl-2,6-dichloronicotinamide
N-adamantan-1-yl-6-chloro-2-(propylthio)nicotinamide
Conditions | Yield |
---|---|
With potassium carbonate In propyl cyanide at 20 - 150℃; for 4h; | 100% |
Conditions | Yield |
---|---|
With tris(pentafluorophenyl)borate In Petroleum ether at 20℃; for 0.5h; | 100% |
1-thiopropane
Conditions | Yield |
---|---|
In water at 80℃; for 16h; Inert atmosphere; Darkness; | 100% |
1-thiopropane
Conditions | Yield |
---|---|
With triethylamine In diethyl ether at 20℃; for 24h; | 100% |
Conditions | Yield |
---|---|
With triethylamine In diethyl ether at 20℃; for 24h; | 100% |
Conditions | Yield |
---|---|
With lithium carbonate In ethanol Reagent/catalyst; Solvent; Sealed tube; | 100% |
Conditions | Yield |
---|---|
With water-d2 In aq. phosphate buffer at 24.84℃; for 0.0666667h; pH=7.6; | 100% |
Conditions | Yield |
---|---|
With 1-n-butyl-3-methylimidazolium methylselenite at 60℃; for 3h; | 99% |
With cerium(III) chloride; iodine; pyrographite In ethyl acetate at 20℃; for 1.5h; | 97% |
With 1,2-bis(5-methylisoxazol-3-yl)hydrazine In acetonitrile at 80℃; for 2h; | 97% |
1-thiopropane
4'-nitro-4-toluenesulphenanilide
1-(propyldisulfanyl)-4-methylbenzene
Conditions | Yield |
---|---|
With potassium carbonate; boron trifluoride diethyl etherate In dichloromethane for 0.0333333h; Ambient temperature; | 99% |
Conditions | Yield |
---|---|
With potassium carbonate In tetrahydrofuran at 20℃; Inert atmosphere; | 99% |
Conditions | Yield |
---|---|
With indium(III) bromide In dichloromethane at 20℃; for 0.25h; | 99% |
Conditions | Yield |
---|---|
With indium(III) bromide In dichloromethane at 20℃; for 0.5h; | 99% |
Conditions | Yield |
---|---|
With indium(III) bromide In dichloromethane at 20℃; for 1h; | 99% |
Conditions | Yield |
---|---|
With CF3COOH or CH3COOH presence of CF3COOH or CH3COOH; | 99% |
1-thiopropane
sym-methoxy[N,N'-bis(salicylidene)-1,3-diaminopropanato]oxorhenium
Conditions | Yield |
---|---|
In dichloromethane byproducts: MeOH; excess thiol, refluxing for 12 h (trapping MeOH with 4 A molecular sives); cooling to room temp., washing (1 M NaOH, brine), drying (MgSO4), solvent removal (vac.); | 99% |
1-thiopropane
1,4-difluoro-2-nitrobenzene
4-fluoro-2-nitro-1-propylsulfanylbenzene
Conditions | Yield |
---|---|
With potassium carbonate In 1-methyl-pyrrolidin-2-one at 90℃; for 2h; | 99% |
1-thiopropane
N-(2,2,2-trifluoroethylidene)-4-methoxyaniline
(R)-4-methoxy-N-(2,2,2-trifluoro-1-(propylthio)ethyl)aniline
Conditions | Yield |
---|---|
With C31H26F6N4O2 In dichloromethane at 20℃; enantioselective reaction; | 99% |
1-thiopropane
octavinylsilsesquioxane
Conditions | Yield |
---|---|
With 2,2'-azobis(isobutyronitrile) In toluene at 60℃; for 17h; Inert atmosphere; | 99% |
Conditions | Yield |
---|---|
With C47H57N4O4PS In diethyl ether at 20℃; for 24h; Solvent; Temperature; Michael Addition; enantioselective reaction; | 99% |
Molecular Structure of 1-Propanethiol (CAS NO.107-03-9):
IUPAC Name: Propane-1-thiol
Canonical SMILES: CCCS
InChI: InChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3
InChIKey: SUVIGLJNEAMWEG-UHFFFAOYSA-N
Molecular Weight: 76.16062 [g/mol]
Molecular Formula: C3H8S
XLogP3: 1.8
EINECS: 203-455-5
Product Categories: thiol Flavor
Index of Refraction: 1.431
Surface Tension: 23.7 dyne/cm
Density: 0.826 g/cm3
Flash Point: -5 °F
Melting point: -113 °C
Enthalpy of Vaporization: 29.54 kJ/mol
Boiling Point: 67.8 °C at 760 mmHg
Vapour Pressure: 156 mmHg at 25 °C
Storage temp: Flammables area
Water Solubility : immiscible.
Appearance: clear colourless liquid.
Classification Code: Skin / Eye Irritant
1-Propanethiol (CAS NO.107-03-9) can be used as raw materials of organic synthesis, is also a pesticide intermediate.
1-Propanethiol (CAS NO.107-03-9)derived by the reaction of thiourea with bromopropane .
Thiourea with bromine in methanol solution, refluxed 3h, recovery of methanol, add dilute sodium hydroxide solution and then refluxed 6h.Then, slowly drop dilute sulfuric acid, with the increase steamed out Propanethiol, when the sulfuric acid plus finished, continue distillation until no oil is up steamed. Collected the crude oil layer, drying with anhydrous calcium chloride, and then distillation, collecting (Boiling point : 66.5 ~ 76.5 °C ) distillation ,which is 1-Propanethiol (CAS NO.107-03-9).
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LC50 | inhalation | 4010ppm/4H (4010ppm) | LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SENSE ORGANS AND SPECIAL SENSES: CHROMODACYRORREA: EYE | American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958. |
rat | LC50 | inhalation | 7300ppm/4H (7300ppm) | LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE | American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958. |
rat | LD50 | intraperitoneal | 515mg/kg (515mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION BEHAVIORAL: COMA | American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958. |
rat | LD50 | oral | 1790mg/kg (1790mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION BEHAVIORAL: COMA | American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958. |
A poison. Moderately toxic by intraperitoneal route. Mildly toxic by inhalation. A severe eye irritant. A flammable liquid and very dangerous fire hazard when exposed to heat or flame. Explodes on contact with calcium hypochlorite. When heated to decomposition it emits toxic fumes of SOx.
Hazard Codes: F,Xn,N
Risk Statements: 11-41-50-36/37/38-21/22
R11:Highly flammable.
R41:Risk of serious damage to the eyes.
R50:Very toxic to aquatic organisms.
R36/37/38:Irritating to eyes, respiratory system and skin.
R21/22:Harmful in contact with skin and if swallowed.
Safety Statements: 16-26-57-36/37/39-29
S16:Keep away from sources of ignition.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S29:Do not empty into drains.
S57:Use appropriate container to avoid environmental contamination.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
RIDADR: UN 2402 3/PG 2
WGK Germany: 3
RTECS: TZ7300000
F: 13
HazardClass: 3
PackingGroup: II
1-Propanethiol (CAS NO.107-03-9), its Synonyms are 1-Mercaptopropane ; 1-Propyl mercaptan ; Propyl mercaptan ; Propylthiol ; n-Propanethiol ; n-Propyl mercaptan ; n-Propylthiol .
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