S-methyl chlorothioformate

HCID 17772

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 18369-83-0
Standard SMILES: CSC(=O)Cl
InChIKey: YPSUCTSXOROPBS-UHFFFAOYSA-N
Molecular formula: C2H3ClOS
Average molar mass: 110.56 g/mol
Monoisotopic mass: 109.9593136

Names & identifiers

Preferred name: S-methyl chlorothioformate
IUPAC: S-methyl chloromethanethioate
English name: METHYL CHLOROTHIOLFORMATE
Molecular formula: C2H3ClOS
Molecular weight: 110.56

Names & synonyms

S-Methyl chlorothioformateMethyl chlorothioformateRefChem:884257242-244-2Methyl chlorothiolformate18369-83-0S-methyl chloromethanethioatemethylchlorothiolformateMethyl thiochloroformateCarbonochloridothioic acid, S-methyl esterMethyl thiolchloroformateS-Methyl chlorothiolformate

Show more names

methylchlorothioformatemethylthiochloroformatemethylthiolchloroformates-methylchlorothioformates-methylchlorothiolformate

S-METHYL CARBONOCHLORIDOTHIOATEThioformic acid, chloro-, methyl esterFORMIC ACID, CHLOROTHIO-, S-METHYL ESTERMETHYLSULFANYLFORMYL CHLORIDEEINECS 242-244-2BRN 0878190chloro(methylsulfanyl)methanoneS-methyl chlorothiocarbonate

Database identifiers

CAS: 18369-83-0、2812-72-8
PubChem CID: 17772
DTXSID: DTXSID40939744
EC Number: 242-244-2
Nikkaji: J49.560C

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 42.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 5
Formal charge: 0
Complexity: 44

Physicochemical properties

Boiling point: 110 °C · 110 °C(lit.)
Density: 1.288 g/mL · 1.288 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.49(lit.)
Flash point: 88 °F · 88 °F
storage temp.: 2 · 2-8°C
InChI: 1S/C2H3ClOS/c1-5-2(3)4/h1H3
InChIKey: YPSUCTSXOROPBS-UHFFFAOYSA-N
SMILES: CSC(Cl)=O
EWG's Food Scores: 1 · 1
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 2 · GHS02,GHS05,GHS06
Signal word: Danger
Hazard statements: 226 · H226-H302+H312-H314-H331-H412
Precautionary statements: 261 · P261-P273-P280-P305+P351+P338-P310
target organs: Upper respiratory tract
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C
Risk Statements: 10 · 10-20/21/22-34-52/53
Safety Statements: 16 · 16-26-27-36/37/39-45-61
RIDADR: 2920 · UN 2920 8/PG 2
WGK Germany: 3 · 3
RTECS: 7000000 · LQ7000000
HazardClass: 8 · 8
PackingGroup: II
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 1Eye Dam. 1Flam. Liq. 3Skin Corr. 1BSkin Sens. 1STOT SE 2 Inhalation

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Acute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Corr. 1B (100%)；Acute Tox. 4 (100%)

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
rtecs: LQ7000000
ridadr: UN 2920 8/PG 2
risk_code: 10-20/21/22-34-52/53
Signal word: Danger
Symbol(GHS): GHS02,GHS05,GHS06
hazard_code: C
safety_code: 16-26-27-36/37/39-45-61
hazard_class: 8
Storage Class: 3 - Flammable liquids
packing_group: II
target organs: Upper respiratory tract
Hazard statements: H226-H302+H312-H314-H331-H412
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 1Eye Dam. 1Flam. Liq. 3Skin Corr. 1BSkin Sens. 1STOT SE 2 Inhalation
Precautionary statements: P261-P273-P280-P305+P351+P338-P310

Chemistry & industry

Applications · 1 item

UsesMethyl Chlorothioformate is a chemical reagent used in the synthesis of Mitomycin C (M371900)-tethered phosphorothiaoate oligodeoxynucleotides. for use as an anti-tumor antibiotic. Also used in the preparation of Brassinin (B676950) derivatives, a plant metabolite of great significance due to its dual role both as an effective phytoalexin and as an early biosynthetic precursor of the majority of the phytoalexins.