Perchloromethyl mercaptan
Properties
- Molecular formula
- CCl4S
- Molar mass
- 185.87 g/mol
- Exact mass
- 183.8475 Da
- Density
- 1.7 g/mL (at 20 °C)
- Boiling point
- 147.5 °C
- Water solubility
- < 1 g/L (21.1 °C)
- logP
- 3.20Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H301 Toxic if swallowed100% of notifiers
- H311 Toxic in contact with skin50.6% of notifiers
- H312 Harmful in contact with skin49.4% of notifiers
- H314 Causes severe skin burns and eye damage98.7% of notifiers
- H330 Fatal if inhaled98.7% of notifiers
- H335 May cause respiratory irritation46.8% of notifiers
Aggregated from 79 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P262, P264, P270, P271, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P361+P364, P362+P364, P363, P403+P233, P405, P501
Identifiers
CAS number
594-42-3SMILES
ClSC(Cl)(Cl)ClInChIKey
RYFZYYUIAZYQLC-UHFFFAOYSA-NInChI
InChI=1S/CCl4S/c2-1(3,4)6-5Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- Methanesulfenyl chloride, trichloro-
- Trichloromethanesulfenyl chloride
- Trichloromethanesulphenyl chloride
- (Trichloromethyl)sulfenyl chloride
- Perchloromethanethiol
- NSC 66404
- Trichloromethylsulfanyl chloride
Work with Perchloromethyl mercaptan
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