3-[(4-Chlorophenyl)methyl]-1,3-thiazinane-2-thione
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Basic information
- CAS
64067-76-1- Standard SMILES
S=C1SCCCN1Cc1ccc(Cl)cc1- InChIKey
OTPBDTNXCZFCPV-UHFFFAOYSA-N- Molecular formula
- C11H12ClNS2
- Average molar mass
- 257.8 g/mol
- Monoisotopic mass
- 257.0099694
Names & identifiers
- Preferred name
- 3-[(4-Chlorophenyl)methyl]-1,3-thiazinane-2-thione
- IUPAC
- 3-[(4-chlorophenyl)methyl]-1,3-thiazinane-2-thione
- English name
- 3-[(4-chlorophenyl)methyl]-1,3-thiazinane-2-thione
- Molecular formula
- C11H12ClNS2
- Molecular weight
- 257.8
Names & synonyms
3-[(4-chlorophenyl)methyl]-1,3-thiazinane-2-thione64067-76-1MLS003115696NSC295606CHEMBL2136878DTXSID60315622NSC-295606SMR001831267DB-3043172H-1,3-Thiazine-2-thione, 3-[(4-chlorophenyl)methyl]tetrahydro-
Database identifiers
- CAS
64067-76-1- PubChem CID
- 325982
- DTXSID
DTXSID60315622- ChEMBL
CHEMBL2136878
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 60.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 227
Related reactions
0 records
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Compound notes
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