1-(Acetylmercapto)-2,2-dichloroethane
Basic information
- CAS
71172-37-7- Standard SMILES
CC(=O)SCC(Cl)Cl- InChIKey
CUGMQUOPCTUFLD-UHFFFAOYSA-N- Molecular formula
- C4H6Cl2OS
- Average molar mass
- 173.06 g/mol
- Monoisotopic mass
- 171.9516414
Names & identifiers
- Preferred name
- 1-(Acetylmercapto)-2,2-dichloroethane
- IUPAC
- S-(2,2-dichloroethyl) ethanethioate
Names & synonyms
1-(ACETYLMERCAPTO)-2,2-DICHLOROETHANERefChem:426908663-960-5s-(2,2-dichloroethyl) ethanethioate71172-37-7NSC163068DTXSID20991486AKOS024332125NSC-163068
Database identifiers
- CAS
71172-37-7- PubChem CID
- 294495
- DTXSID
DTXSID20991486- EC Number
- 663-960-5
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 84.1
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal]
P203, P261, P262, P264, P270, P271, P280, P302+P352, P304+P340, P316, P318, P321, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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