Ethyl chlorothioformate
Properties
- Molecular formula
- C3H5ClOS
- Molar mass
- 124.58 g/mol
- Exact mass
- 123.9750 Da
- Density
- 1.84 g/mL
- Boiling point
- 136 °C
- Flash point
- 30.6 °C
- Water solubility
- < 1 g/L (18.9 °C)
- logP
- 2.10Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H226 Flammable liquid and vapor100% of notifiers
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin100% of notifiers
- H314 Causes severe skin burns and eye damage100% of notifiers
- H330 Fatal if inhaled95.1% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
2941-64-2SMILES
CCSC(=O)ClInChIKey
QCMHWZUFWLOOGI-UHFFFAOYSA-NInChI
InChI=1S/C3H5ClOS/c1-2-6-3(4)5/h2H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
10 names
- Carbonochloridothioic acid, S-ethyl ester
- Formic acid, chlorothio-, S-ethyl ester
- S-Ethyl chlorothioformate
- Ethylthiol chloroformate
- S-Ethyl thiochloroformate
- Ethyl thiochloroformate
- S-Ethyl carbonochloridothioate
- S-Ethyl chlorothiocarbonate
- Thioethoxycarbonyl chloride
- Ethylthiocarbonyl chloride
Work with Ethyl chlorothioformate
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
S-Ethyl thioacetate625-60-548 % similar
S-Ethyl propanethioate2432-42-046 % similar
Ethylthiol trifluoroacetate383-64-241 % similar
Molinate2212-67-138 % similar
S-Ethyl dipropylthiocarbamate759-94-438 % similar
(Chlorocarbonyl)sulfenyl chloride2757-23-536 % similar
Butylate2008-41-535 % similar
Ethyl methyl sulfide624-89-533 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.