2-Methyl-3-furanthiol supplier

Name
2-Methyl-3-furanthiol
EINECS 249-094-7
CAS No. 28588-74-1
Article Data9
CAS DataBase
Density 1.129 g/cm³
Solubility
Melting Point
Formula C₅H₆OS
Boiling Point 146.7 °C at 760 mmHg
Molecular Weight 114.168
Flash Point 42.5 °C
Transport Information UN 1228 3/PG 3
Appearance colorless to light yellow liquid
Safety S16;S26;S28;S38;S39;S45
Risk Codes 10-25-36-26
Molecular Structure
Hazard Symbols T,T+
Synonyms 2-Methyl-3-furylthiol;2-Methyl-3-mercaptofuran;Oxycyclothione 030;2-Methyl-3-mercapofuran;
PSA 51.94000
LogP 1.87670

Synthetic route

: 141-46-8
Glycolaldehyde

: 24653-75-6
1-mercaptopropan-2-one

A: 98-02-2
2-thiolomethyl-furan

B: 28588-74-1
2-methylfuran-3-thiol

Conditions

Conditions	Yield
In water Product distribution; var. pH; other carbohydrates;

...Expand

: 50-69-1
D-ribose

A: 67633-97-0
3-mercapto-2-pentanone

B: 98-02-2
2-thiolomethyl-furan

C: 28588-74-1
2-methylfuran-3-thiol

D: 3-<(2-methyl-3-furyl)dithio>-2-pentanone

Conditions

Conditions	Yield
With rac-cysteine In phosphate buffer at 95℃; for 4h; pH=5.00; Product distribution; Maillard reaction;

...Expand

: 149428-24-0
2-methylfur-3-yl thiocyanate

: 28588-74-1
2-methylfuran-3-thiol

Conditions

Conditions	Yield
With sodium borohydrid In methanol; water

: 3188-00-9
2-methyltetrahydrofuran-3-one

A 2-methyl[4,5H]-dihydrofuran-3-thiol: 2-methyl[4,5H]-dihydrofuran-3-thiol

B: 28588-74-1
2-methylfuran-3-thiol

Conditions

Conditions	Yield
With hydrogenchloride; hydrogen sulfide; sodium hydrogencarbonate In diethyl ether; diethylene glycol dimethyl ether; water

: 52-90-4
L-Cysteine

: 1262683-58-8
[13C5]xylose

: 59-43-8
vitamin B1

A: 3188-00-9
2-methyltetrahydrofuran-3-one

B: 40789-98-8
3-mercapto-2-butanone

C: 67633-97-0
3-mercapto-2-pentanone

D: (13)C5H4O2

E: (13)C5H10OS

F: (13)C5H6OS

G: (13)C5H6OS

H: (13)C6H8OS

I: 63012-97-5
2-methyl-3-(methylthio)furan sulphide

J: 28588-74-1
2-methylfuran-3-thiol

Conditions

Conditions	Yield
at 145℃; for 0.333333h; pH=5; Maillard reaction; aq. phosphate buffer;

...Expand

: 52-90-4
L-Cysteine

: 1262683-58-8
[13C5]xylose

: 59-43-8
vitamin B1

A: 3188-00-9
2-methyltetrahydrofuran-3-one

B: 40789-98-8
3-mercapto-2-butanone

C: 67633-97-0
3-mercapto-2-pentanone

D: (13)C5H10OS

E: (13)C5H6OS

F: (13)C5H6OS

G: C(13)C5H8OS

H: (13)C6H8OS

I: 63012-97-5
2-methyl-3-(methylthio)furan sulphide

J: 28588-74-1
2-methylfuran-3-thiol

Conditions

Conditions	Yield
at 145℃; for 0.333333h; pH=6; Maillard reaction; aq. phosphate buffer;

...Expand

: 1262683-58-8
[13C5]xylose

: 59-43-8
vitamin B1

A: 74015-70-6, 13679-85-1
4,5-Dihydro-2-methylthiophen-3-(2H)-on

B: 137-00-8
5-hydroxyethyl-4-methylthiazole

C: 3188-00-9
2-methyltetrahydrofuran-3-one

D: 40789-98-8
3-mercapto-2-butanone

E: 67633-97-0
3-mercapto-2-pentanone

F: (13)C5H10OS

G: (13)C5H6OS

H: 28588-74-1
2-methylfuran-3-thiol

Conditions

Conditions	Yield
With L-Cysteine at 145℃; for 0.333333h; pH=7; Maillard reaction; aq. phosphate buffer;

...Expand

: 58-86-6
D-xylose

: 52-90-4
L-Cysteine

: 59-43-8
vitamin B1

A: 98-01-1
furfural

B: 137-00-8
5-hydroxyethyl-4-methylthiazole

C: 3188-00-9
2-methyltetrahydrofuran-3-one

D: 40789-98-8
3-mercapto-2-butanone

E: 67633-97-0
3-mercapto-2-pentanone

F: 98-02-2
2-thiolomethyl-furan

G: 63012-97-5
2-methyl-3-(methylthio)furan sulphide

H: 28588-74-1
2-methylfuran-3-thiol

Conditions

Conditions	Yield
at 145℃; for 0.333333h; pH=4; Maillard reaction; aq. phosphate buffer;
at 145℃; for 0.333333h; pH=5.5; Maillard reaction; aq. phosphate buffer;
at 145℃; for 0.333333h; pH=5; Maillard reaction; aq. phosphate buffer;

...Expand

: 58-86-6
D-xylose

: 52-90-4
L-Cysteine

: 59-43-8
vitamin B1

A: 74015-70-6, 13679-85-1
4,5-Dihydro-2-methylthiophen-3-(2H)-on

B: 137-00-8
5-hydroxyethyl-4-methylthiazole

C: 3188-00-9
2-methyltetrahydrofuran-3-one

D: 40789-98-8
3-mercapto-2-butanone

E: 67633-97-0
3-mercapto-2-pentanone

F: 98-02-2
2-thiolomethyl-furan

G: 63012-97-5
2-methyl-3-(methylthio)furan sulphide

H: 28588-74-1
2-methylfuran-3-thiol

Conditions

Conditions	Yield
at 145℃; for 0.333333h; pH=6; Maillard reaction; aq. phosphate buffer;

...Expand

: 58-86-6
D-xylose

: 59-43-8
vitamin B1

A: 74015-70-6, 13679-85-1
4,5-Dihydro-2-methylthiophen-3-(2H)-on

B: 137-00-8
5-hydroxyethyl-4-methylthiazole

C: 3188-00-9
2-methyltetrahydrofuran-3-one

D: 40789-98-8
3-mercapto-2-butanone

E: 67633-97-0
3-mercapto-2-pentanone

F: 28588-74-1
2-methylfuran-3-thiol

Conditions

Conditions	Yield
With L-Cysteine at 145℃; for 0.333333h; pH=7; Maillard reaction; aq. phosphate buffer;

...Expand

: S-2-methylfuran-3-yl ethanethioate

: 28588-74-1
2-methylfuran-3-thiol

Conditions

Conditions	Yield
With porcine liver esterase at 30℃; pH=7.2; aq. phosphate buffer; Enzymatic reaction;

: 57-48-7
D-Fructose

: 70-18-8
GLUTATHIONE

A: 7774-74-5
Thiophene-2-thiol

B: 1003-04-9
Tetrahydrothiophen-3-one

C: 872-55-9
2-ethylthiophene

D: 109-08-0
2-Methylpyrazine

E: 620-02-0
5-Methylfurfural

F: 5402-55-1
2-thiophenethanol

G: 1192-62-7
1-(2-furyl)-1-ethanone

H: 2527-76-6
2-methylthiophene-3-thiol

I: 1072-83-9
2-Acetylpyrrole

J: 28588-74-1
2-methylfuran-3-thiol

Conditions

Conditions	Yield
In water at 160℃; for 2h; pH=7.5; Maillard reaction;

...Expand

: 67-03-8
Thiamine hydrochloride

A: 15678-01-0
5-hydroxy-3-mercapto-2-pentanone

B: 28588-74-1
2-methylfuran-3-thiol

Conditions

Conditions	Yield
In aq. buffer at 120℃; for 2h; pH=7;

: 28588-74-1
2-methylfuran-3-thiol

: 28588-75-2
2-methyl-3-(2-(2-methylfuran-3-yl)disulfanyl)furan

Conditions

Conditions	Yield
With aluminum oxide In neat (no solvent) for 0.416667h; Milling; chemoselective reaction;	97%
With chloropicrin; sodium ethanolate In acetonitrile at 20℃; for 3h; Dimerization;	94%
With tert.-butylnitrite; oxygen In 1,2-dichloro-ethane at 50℃; under 760.051 Torr; for 4h; Sealed tube; Green chemistry;	93%
With copper(II) sulfate In diethyl ether for 0.5h;
With 2-thiolomethyl-furan In ethanol

: 5308-51-0
1-bromobutane-2,3-dione

: 28588-74-1
2-methylfuran-3-thiol

: 4-(2-methyl-furan-3-yl-thio)-butane-2,3-dione

Conditions

Conditions	Yield
With potassium tert-butylate In tetrahydrofuran; diethyl ether; water	93%

: 28883-94-5
3-phenyl-2H-azirine-2-carboxamide

: 28588-74-1
2-methylfuran-3-thiol

: 2-amino-3,3-bis((2-methylfuran-3-yl)thio)-3-phenylpropanamide

Conditions

Conditions	Yield
In aq. phosphate buffer; ethanol at 37℃; under 760.051 Torr; for 20h; pH=7.4; Inert atmosphere;	93%

: 5370-25-2
2-Acetyl-5-bromothiophene

: 28588-74-1
2-methylfuran-3-thiol

: 1-[5-(2-methylfuran-3-ylsulfanyl)thiophen-2-yl]ethanone

Conditions

Conditions	Yield
With K3PO4; copper(II) ferrite; tetrabutylammomium bromide In water at 100℃; for 13h; Inert atmosphere;	92%

: 28588-74-1
2-methylfuran-3-thiol

: O-ethyl S-(2-methyl-3-furyl)thiocarbonate

Conditions

Conditions	Yield
With chloroformic acid ethyl ester; triethylamine In butanone at 5℃; for 3h; Cooling in ice;	86%

: 16493-81-5
4-ethyloctanoyl chloride

: 28588-74-1
2-methylfuran-3-thiol

: 1236109-86-6
C15H24O2S

Conditions

Conditions	Yield
With pyridine In dichloromethane at 45℃; for 6h;	86%

: 60754-49-6
1,1-dibromo-2-cyclohexylethene

: 28588-74-1
2-methylfuran-3-thiol

: 3-[1-(2-methylfuran-3-ylthio)-2-cyclohexylvinylthio]-2-methylfuran

Conditions

Conditions	Yield
With K3PO4; copper(II) ferrite; tetrabutylammomium bromide In water at 100℃; for 13h; Inert atmosphere;	84%

: 794-94-5
p-Methoxybenzoic anhydride

: 28588-74-1
2-methylfuran-3-thiol

: 3-((4-methoxyphenyl)thio)-2-methylfuran

Conditions

Conditions	Yield
With manganese; 1,3-bis-(diphenylphosphino)propane; sodium carbonate; nickel dichloride In toluene at 170℃; for 48h; Sealed tube; Inert atmosphere;	83%

: 31862-80-3
methyl 4-bromo-5-nitrothiophene-2-caboxylate

: 28588-74-1
2-methylfuran-3-thiol

: 631909-70-1
4-(2-methyl-furan-3-ylsulfanyl)-5-nitro-thiophene-2-carboxylic acid methyl ester

Conditions

Conditions	Yield
In tetrahydrofuran at 20℃; for 12h;	80%
In tetrahydrofuran at -78℃;

: 5460-29-7
2-(3-bromopropyl)isoindole-1,3-dione

: 28588-74-1
2-methylfuran-3-thiol

: 1264263-61-7
2-(3-(2-methylfuran-3-ylthio)propyl)-1H-isoindole-1,3(2H)-dione

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 90℃; for 6h; Inert atmosphere;	80%

: 2,4-dihydroxy-3-(3-((1aR,3S,3aR,5S,7aR,7bR)-3-methyl-6-methylene-2-oxooctahydro-1aH-5,7a-ethanonaphtho[1,2-b]oxiren-3-yl)propanamido)benzoic acid

: 28588-74-1
2-methylfuran-3-thiol

: 2,4-dihydroxy-3-(3-((2S,4aR,8S,8aR)-8-methyl-3-methylene-6-((2-methylfuran-3-yl)thio)-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonaphthalen-8-yl)propanamido)benzoic acid

Conditions

Conditions	Yield
With lithium hydroxide In ethanol; water at 20℃; pH=9;	78%

: 1454920-50-3
2-(3-chlorophenyl)-2H-1,2,3-triazole 1-oxide

: 28588-74-1
2-methylfuran-3-thiol

: 2-(3-chlorophenyl)-4-(2-methylfuran-3-ylthio)-2H-1,2,3-triazole

Conditions

Conditions	Yield
With nickel(II) sulphate; caesium carbonate; N,N`-dimethylethylenediamine In dimethyl sulfoxide at 60℃; for 12h; regioselective reaction;	77%

: 1663-39-4
tert-Butyl acrylate

: 28588-74-1
2-methylfuran-3-thiol

: tert-butyl 3-((2-methylfuran-3-yl)thio)propanoate

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran at 20℃;	76%

: 100954-03-8
phenyl 3-phenyl-2-propynoate

: 28588-74-1
2-methylfuran-3-thiol

: 2-(3-methylfuran-2-ylthio)-3,3-diphenylacrylic acid

Conditions

Conditions	Yield
With oxygen In ethanol at 25℃; for 6h;	71%

: 67-56-1
methanol

: 28588-74-1
2-methylfuran-3-thiol

: methyl 2-methylfuran-3-sulfinate

Conditions

Conditions	Yield
With oxygen; potassium carbonate at 60℃; for 24h; Schlenk technique; chemoselective reaction;	70%
With eosin at 20℃; for 1.66667h; Irradiation;	70%

2-Methyl-3-furanthiol Chemical Properties

Molecular Structure of 3-Furanthiol, 2-methyl- (CAS NO.28588-74-1):

IUPAC Name: 2-Methylfuran-3-thiol
Canonical SMILES: CC1=C(C=CO1)S
InChI: InChI=1S/C5H6OS/c1-4-5(7)2-3-6-4/h2-3,7H,1H3
InChIKey: RUYNUXHHUVUINQ-UHFFFAOYSA-N
Molecular Weight: 114.16554 [g/mol]
Molecular Formula: C₅H₆OS
XLogP3-AA: 1.5
H-Bond Donor: 0
H-Bond Acceptor: 1
EINECS: 249-094-7
storage temp.: Freezer (-20 °C)
Appearance: Colorless to light yellow liquid
Index of Refraction: 1.536
Molar Refractivity: 31.55 cm³
Molar Volume: 101.1 cm³
Surface Tension: 35.8 dyne/cm
Density: 1.129 g/cm³
Flash Point: 42.5 °C
Enthalpy of Vaporization: 36.79 kJ/mol
Boiling Point: 146.7 °C at 760 mmHg
Vapour Pressure: 5.78 mmHg at 25 °C
Product Categories: THIOL; Furan & Benzofuran; thiol Flavor; Alphabetical Listings; Flavors and Fragrances; M-N; Building Blocks; Furans; Heterocyclic Building Blocks; Sulfides flavors

2-Methyl-3-furanthiol Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	100mg/kg (100mg/kg)		Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.

2-Methyl-3-furanthiol Safety Profile

Safety Information of 3-Furanthiol, 2-methyl- (CAS NO.28588-74-1):
Hazard Codes: Toxic T, Very T+
Risk Statements: 10-25-36-26
R10:Flammable.
R25 :Toxic if swallowed.
R26:Very toxic by inhalation.
R36:Irritating to eyes.
Safety Statements: 16-45-39-38-28-26
S16:Keep away from sources of ignition.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S28:After contact with skin, wash immediately with plenty of soap-suds.
S38:In case of insufficient ventilation, wear suitable respiratory equipment.
S39:Wear eye / face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 1228 3/PG 3
WGK Germany: 3
RTECS: LU6235000
HazardClass: 3.2
PackingGroup: III

2-Methyl-3-furanthiol Specification

3-Furanthiol, 2-methyl- (CAS NO.28588-74-1), its Synonyms are 2-Methyl-3-furanthiol ; 2-Methyl-3-furylmercaptan ; 2-Methyl-3-furylthiol ; 2-Methyl-3-mercaptofuran .

Product Name

2-Methyl-3-furanthiol

Synthetic route

2-Methyl-3-furanthiol Chemical Properties

2-Methyl-3-furanthiol Toxicity Data With Reference

2-Methyl-3-furanthiol Safety Profile

2-Methyl-3-furanthiol Specification

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