2-Chloro-4-thiazolemethanethiol
Basic information
- CAS
119027-57-5- Standard SMILES
SCc1csc(Cl)n1- InChIKey
HGMKQZPJRSXEOB-UHFFFAOYSA-N- Molecular formula
- C4H4ClNS2
- Average molar mass
- 165.7 g/mol
- Monoisotopic mass
- 164.9473692
Names & identifiers
- Preferred name
- 2-Chloro-4-thiazolemethanethiol
- IUPAC
- (2-chloro-1,3-thiazol-4-yl)methanethiol
Names & synonyms
119027-57-52-Chloro-4-thiazolemethanethiolDTXSID901304739(2-Chloro-1,3-thiazol-4-yl)methanethiol
Database identifiers
- CAS
119027-57-5- PubChem CID
- 85581020
- DTXSID
DTXSID901304739
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 80.4
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Compound notes
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