Basic information
- Standard SMILES
SC(Cl)(Cl)Cl- InChIKey
ILSVYQNRDXIWLK-UHFFFAOYSA-N- Molecular formula
- CHCl3S
- Average molar mass
- 151.4 g/mol
- Monoisotopic mass
- 149.886454
Names & identifiers
- Preferred name
- Trichloromethanethiol
- IUPAC
- trichloromethanethiol
Names & synonyms
TrichloromethanethiolTRICHLOROMETHYL MERCAPTAN409314-70-175-70-7RefChem:191009Methanethiol, trichloro-Trichloro-methanethiolSCHEMBL23422SCHEMBL23423ILSVYQNRDXIWLK-UHFFFAOYSA-NAKOS015899875NS00067185
Database identifiers
- CAS
409314-70-1- PubChem CID
- 6390
- Nikkaji
- J751.280E
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 28
Safety & regulation
Toxicology
Human Toxicity Excerpts
PERCHLOROMETHYL MERCAPTAN (PCM) IS A HIGHLY TOXIC VOLATILE INHALATION POISON. A FATAL CASE OF PCM INTOXICATION IS DESCRIBED TO DRAW ATTENTION TO RISKS OF OCCUPATIONAL EXPOSURE TO PCM.
A FACTORY WORKER AGED 19 YR WAS SPLASHED IN THE FACE BY PERCHLORINEMETHYLMERCAPTAN. HE HAD IRRITATION OF THE CONJUNCTIVA & RESPIRATORY MUCOSA & WITHIN 20 HR DEVELOPED EXTENSIVE DISPERSED TOXIC BRONCHOPNEUMONIA WITH GLOBAL RESPIRATORY INSUFFICIENCY & HYPERCAPNIA. HE WAS TREATED WITH ANTIBIOTICS, CARDIOTONICS & OXYGEN INHALATION. CURE WAS ACHIEVED WITHIN 14 DAYS, WITH NO SEQUELAE.
Chemistry & industry
Uses & manufacturing
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Related reactions
55 records
Linked notes
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