Ethyl chlorothioformate supplier

Name
Ethyl chlorothioformate
EINECS 220-928-1
CAS No. 2941-64-2
Density 1.239g/cm³
Solubility decomposes
Melting Point -60 °C
Formula C₃H₅ClOS
Boiling Point 132 °C at 760 mmHg
Molecular Weight 124.591
Flash Point 30.6 °C
Transport Information UN 2826
Appearance clear yellow or grey-greenish to purple liquid
Safety 16-25-28A-36/37/39-45
Risk Codes 10-22-26-34
Molecular Structure
Hazard Symbols T+; C
Synonyms Formicacid, chlorothio-, S-ethyl ester (7CI,8CI);Ethyl chlorothioformate;Ethylthiochloroformate;Ethylthiocarbonyl chloride;Ethylthiol chloroformate;S-Ethyl carbonochloridothioate;S-Ethyl chlorothiocarbonate;S-Ethylchlorothioformate;S-Ethyl thiochloroformate;Thioethoxycarbonyl chloride;
PSA 42.37000
LogP 2.09830

Synthetic route

: 75-44-5
phosgene

: 75-08-1
ethanethiol

: 2941-64-2
Ethyl chlorothioformate

: 542-90-5
ethyl isothiocyanate

: 408321-65-3
chloromalonyl dichloride

: 2941-64-2
Ethyl chlorothioformate

: 32315-10-9
bis(trichloromethyl) carbonate

: 75-08-1
ethanethiol

: 2941-64-2
Ethyl chlorothioformate

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran at -15 - 20℃; for 0.5h;
With triethylamine In tetrahydrofuran at -15 - 18℃; for 2h;

: 40020-01-7
6-chloro-3-phenylpyridazin-4-ol

: 2941-64-2
Ethyl chlorothioformate

: 88880-54-0
O-[3-phenyl-6-chloro-4-pyridazinyl]S-ethyl thiocarbonate

Conditions

Conditions	Yield
In sodium hydroxide; water; acetone	100%

: 1429870-80-3
4-hydroxy-2-methyl-5-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]pyridazin-3-one

: 2941-64-2
Ethyl chlorothioformate

: [2-methyl-5-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]-3-oxo-pyridazin-4-yl]ethylsulfanylformate

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran; ethyl acetate	100%

: 2941-64-2
Ethyl chlorothioformate

: 442514-22-9
N-(3-methylaminopropyl)carbamic acid tert-butyl ester

: 960010-13-3
N-(3-((ethylsulfanylcarbonyl)(methyl)amino)propyl)carbamic acid tert-butyl ester

Conditions

Conditions	Yield
With sodium hydroxide In diethyl ether at 0℃; for 0.5h;	99%

: 1071508-40-1, 157339-06-5
(α-(acetyloxy)benzyl)tributylstannane

: 2941-64-2
Ethyl chlorothioformate

: 82027-42-7
Acetic acid ethylsulfanylcarbonyl-phenyl-methyl ester

Conditions

Conditions	Yield
With CuCN In toluene at 75℃; for 21h;	98%

: (1-(acetyloxy)-3-phenylpropyl) tributylstannane

: 2941-64-2
Ethyl chlorothioformate

: 1-((ethylthio)carbonyl)-3-phenylpropyl acetate

Conditions

Conditions	Yield
With CuCN In toluene at 80℃; for 35h;	97%

: 1362698-64-3
1-(2,2-difluoroethyl)-3-[2-(trifluoromethyl)phenyl]-1H-pyrido[2,3-c][1,2]thiazin-4-ol 2,2-dioxide

: 2941-64-2
Ethyl chlorothioformate

: O-{1-(2,2-difluoroethyl)-2,2-dioxido-3-[2-(trifluoromethyl)phenyl]-1H-pyrido[2,3-c][1,2]thiazin-4-yl} S-ethyl thiocarbonate

Conditions

Conditions	Yield
With pyridine In dichloromethane at 20℃; for 3h;	97%

: 128811-48-3
1‐(tert‐butyl) 2‐methyl (R)‐5‐oxopyrrolidine‐1,2‐dicarboxylate

: 2941-64-2
Ethyl chlorothioformate

: 398476-14-7
(3rac, 5R)-1-(tert-butoxycarbonyl)-3-(thioethoxycarbonyl)-2-pyrrolidinon-5-carboxylic methyl ester

Conditions

Conditions	Yield
Stage #1: 1‐(tert‐butyl) 2‐methyl (R)‐5‐oxopyrrolidine‐1,2‐dicarboxylate With lithium hexamethyldisilazane In tetrahydrofuran at -78℃; for 1h; Stage #2: Ethyl chlorothioformate In tetrahydrofuran at -78℃;	95%

: 62-53-3
aniline

: 2941-64-2
Ethyl chlorothioformate

: 17425-24-0
phenylthiocarbamic acid S-ethyl ester

Conditions

Conditions	Yield
With pyridine In dichloromethane	94%

: 7144-49-2
2-methanesulfonylbenzothiazole

: 2941-64-2
Ethyl chlorothioformate

A: 1357556-60-5
S-ethyl 2-(benzo[d]thiazol-2-ylsulfonyl)ethanethioate

B: 134792-21-5
2-<(benzothiazol-2-ylmethyl)sulfonyl>benzothiazole

Conditions

Conditions	Yield
Stage #1: 2-methanesulfonylbenzothiazole; Ethyl chlorothioformate With lithium hexamethyldisilazane In tetrahydrofuran at -78 - 0℃; for 2h; Stage #2: With ammonium chloride In tetrahydrofuran; water	A 94% B 11%

...Expand

: 100-02-7
4-nitro-phenol

: 2941-64-2
Ethyl chlorothioformate

: 320343-87-1
S-ethyl O-(4-nitrophenyl) carbonothioate

Conditions

Conditions	Yield
With pyridine In dichloromethane at 20℃;	93.5%
With pyridine In dichloromethane at 0 - 20℃; for 16h; Condensation;	92%

: 1125-80-0
3-methylisoquinoline

: 151-50-8
potassium cyanide

: 2941-64-2
Ethyl chlorothioformate

: 1-cyano-2-<(ethylthio)carbonyl>-1,2-dihydro-3-methylisoquinoline

Conditions

Conditions	Yield
With benzyltrimethylammonium chloride In dichloromethane; water for 2h;	93%

...Expand

: 106-24-1
Geraniol

: 2941-64-2
Ethyl chlorothioformate

: Thiocarbonic acid O-((E)-3,7-dimethyl-octa-2,6-dienyl) ester S-ethyl ester

Conditions

Conditions	Yield
With pyridine for 16h; Ambient temperature;	93%

: 903568-77-4
C10H12N6O6*ClH

: 2941-64-2
Ethyl chlorothioformate

: 1163704-76-4
O2-(2,4-dinitrophenyl) 1-[4-(ethylmercaptocarbonyl)piperazin-1-yl]diazen-1-ium-1,2-diolate

Conditions

Conditions	Yield
With triethylamine In dichloromethane	93%

: 100-53-8
phenylmethanethiol

: 2941-64-2
Ethyl chlorothioformate

: 79010-64-3
S-Benzyl-S'-ethyl dithiocarbonate

Conditions

Conditions	Yield
With triethylamine	90%

: 2941-64-2
Ethyl chlorothioformate

: 56-12-2
4-amino-n-butyric acid

: 78213-31-7
4-(((ethylthio)carbonyl)amino)butanoic acid

Conditions

Conditions	Yield
With potassium carbonate In water at 0 - 20℃; Inert atmosphere;	90%
With potassium carbonate In water at 0 - 20℃;	67%

: 847621-70-9
3-amino-N-(2,6-dimethyl-4-(perfluoropropan-2-yl)phenyl)benzamide

: 2941-64-2
Ethyl chlorothioformate

: N-(2,6-dimethyl-4-heptafluoroisopropyl)phenyl-3-(ethylthiocarbonylamino)benzamide

Conditions

Conditions	Yield
With pyridine In tetrahydrofuran at 20℃; for 2h;	89%

: 1256494-55-9
(5,5-difluoro-1,3,7,9-tetramethyl-5H-4λ4,5λ4-dipyrrolo[1,2-c:2′,1′-f ][1,3,2]diazaborinin-10-yl)methanol

: 2941-64-2
Ethyl chlorothioformate

: C17H21BF2N2O2S

Conditions

Conditions	Yield
With pyridine In tetrahydrofuran at 40℃; for 19h; Inert atmosphere;	88%

: 1001397-21-2
1,1-dimethylethyl 4-({7-[2-fluoro-4-(methylsulfonyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)-1-piperidinecarboxylate

: 2941-64-2
Ethyl chlorothioformate

: 1001398-64-6
S-ethyl 4-({7-[2-fluoro-4-(methylsulfonyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)-1-piperidinecarbothioate

Conditions

Conditions	Yield
Stage #1: 1,1-dimethylethyl 4-({7-[2-fluoro-4-(methylsulfonyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)-1-piperidinecarboxylate With trifluoroacetic acid In dichloromethane at 20℃; for 2h; Stage #2: Ethyl chlorothioformate With triethylamine In dichloromethane at 20℃; for 18h;	87%

: 19070-95-2
2-(4-phenylphenoxy)-ethanol

: 2941-64-2
Ethyl chlorothioformate

: S-ethyl-2-(4-phenylphenoxy)-ethyl-thiolcarbonate

Conditions

Conditions	Yield
In pyridine for 14h; Ambient temperature;	86%

: 75-04-7
ethylamine

: 2941-64-2
Ethyl chlorothioformate

: 39078-37-0
S-ethyl N-ethylthiocarbamate

Conditions

Conditions	Yield
In dichloromethane; water	85%

: 153942-88-2
{α-(phthalimidoyl)octyl}tributylstannane

: 2941-64-2
Ethyl chlorothioformate

: S-ethyl 2-phthalimidononanethioate

Conditions

Conditions	Yield
With CuCN In toluene at 75℃; for 70h;	85%

: 1163704-89-9
O2-(2,4-dinitrophenyl) 1-[4-homopiperazin-1-yl]diazen-1-ium-1,2-diolate hydrochloride

: 2941-64-2
Ethyl chlorothioformate

: 1163704-84-4
O2-(2,4-dinitrophenyl) 1-[4-(ethylmercaptocarbonyl)homopiperazin-1-yl]diazen-1-ium-1,2-diolate

Conditions

Conditions	Yield
With triethylamine In dichloromethane	84%

: 2941-64-2
Ethyl chlorothioformate

: 823-86-9
N-(4-chlorophenyl)hydroxylamine

: 14063-23-1
N-(4-Chlor-phenyl)-N-ethylmercaptocarbonyl-hydroxylamin

Conditions

Conditions	Yield
With potassium carbonate In diethyl ether at 0 - 20℃;	83%
With sodium hydrogencarbonate In 1,2-dichloro-ethane

: 1199-02-6
5-phenyl-3H-[1,3,4]oxadiazol-2-one

: 2941-64-2
Ethyl chlorothioformate

: 55084-82-7
2-phenyl-4-(ethylthio)carbonyl-1,3,4-oxadiazol-5(4H)-one

Conditions

Conditions	Yield
With pyridine In toluene for 3h; Ambient temperature;	82%
With pyridine In benzene

: 932-96-7
N-methyl(p-chloroaniline)

: 2941-64-2
Ethyl chlorothioformate

: N-methyl-N-p-chlorophenylcarbamate thioethyl ester

Conditions

Conditions	Yield
With potassium carbonate In diethyl ether at 0 - 20℃;	82%

: C23H19ClN6OS

: 2941-64-2
Ethyl chlorothioformate

: 952300-53-7
C26H23ClN6O2S2

Conditions

Conditions	Yield
With pyridine at 20 - 60℃; for 19h;	82%

: 120-15-0
6-methoxy-1,2,3,4-tetrahydroquinoline

: 2941-64-2
Ethyl chlorothioformate

: S-ethyl 6-methoxy-3,4-dihydroquinoline-1(2H)-carbothioate

Conditions

Conditions	Yield
Stage #1: 6-methoxy-1,2,3,4-tetrahydroquinoline With triethylamine In dichloromethane at 0℃; for 0.25h; Inert atmosphere; Stage #2: Ethyl chlorothioformate In dichloromethane at 0 - 20℃; for 3h; Inert atmosphere;	82%

: 2941-64-2
Ethyl chlorothioformate

: 122-52-1
triethyl phosphite

: 163678-85-1
S-ethyl diethylphosphonothiolformate

Conditions

Conditions	Yield
at 0 - 20℃; for 3h;	81%
In toluene for 1h;	68%
In toluene at 20℃; for 3h; Substitution; Arbuzov reaction;

: 35581-44-3
5-amino-3-trifluoromethyl-1,2,4-thiadiazole

: 2941-64-2
Ethyl chlorothioformate

: 75472-24-1
5-(ethylthiolcarbamoyl)-3-trifluoromethyl-1,2,4-thiadiazole

Conditions

Conditions	Yield
With K2CO3 at 56°C, 20 h, in presence of K2CO3;	81%
With potassium carbonate at 56°C, 20 h, in presence of K2CO3;	81%

: 63066-74-0
2-(4-phenoxyphenoxy)-ethanol

: 2941-64-2
Ethyl chlorothioformate

: S-ethyl-2-(4-phenoxyphenoxy)-ethyl-thiocarbonate

Conditions

Conditions	Yield
In pyridine for 14h; Ambient temperature;	80%

Ethyl chlorothioformate Specification

The Ethyl chlorothioformate, with the CAS registry number 2941-64-2 and EINECS registry number 220-928-1, has the systematic name of S-ethyl carbonochloridothioate. It is a kind of clear yellow or grey-greenish to purple liquid, and belongs to the product category of Pharmaceutical Intermediates. And the molecular formula of the chemical is C₃H₅ClOS.

The characteristics of Ethyl chlorothioformate are as followings: (1)ACD/LogP: 2.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.02; (4)ACD/LogD (pH 7.4): 2.02; (5)ACD/BCF (pH 5.5): 20.21; (6)ACD/BCF (pH 7.4): 20.21; (7)ACD/KOC (pH 5.5): 299.33; (8)ACD/KOC (pH 7.4): 299.33; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 42.37 Å²; (13)Index of Refraction: 1.485; (14)Molar Refractivity: 28.82 cm³; (15)Molar Volume: 100.5 cm³; (16)Polarizability: 11.42×10^-24cm³; (17)Surface Tension: 35.6 dyne/cm; (18)Density: 1.239 g/cm³; (19)Flash Point: 30.6 °C; (20)Enthalpy of Vaporization: 36.96 kJ/mol; (21)Boiling Point: 132 °C at 760 mmHg; (22)Vapour Pressure: 9.04 mmHg at 25°C.

Uses of Ethyl chlorothioformate: It can react with 5-fluoro-1H-pyrimidine-2,4-dione to produce 1-(ethylthio)carbonyl-5-fluorouracil. This reaction will need reagent triethylamine, and the menstruum pyridine. And the yield is about 40%.

You should be cautious while dealing with this chemical. It is a kind of flammable chemical which is very toxic by inhalation, and may also cause burns. Therefore, you had better take the following instructions: Keep away from sources of ignition - No smoking; Avoid contact with eyes; Wear suitable protective clothing, gloves and eye/face protection; After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer); In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: ClC(=O)SCC
(2)InChI: InChI=1/C3H5ClOS/c1-2-6-3(4)5/h2H2,1H3
(3)InChIKey: QCMHWZUFWLOOGI-UHFFFAOYAP

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LC50	inhalation	210mg/m³/4H (210mg/m³)	CARDIAC: CARDIOMYOPATHY INCLUDING INFARCTION LUNGS, THORAX, OR RESPIRATION: EMPHYSEMA LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), DIFFUSE"	National Technical Information Service. Vol. OTS0538464

Product Name

Ethyl chlorothioformate

Synthetic route

Ethyl chlorothioformate Specification

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