5-(Chloromethyl)-n-phenyl-1,3,4-thiadiazol-2-amine
Basic information
- CAS
7119-00-8- Standard SMILES
ClCc1nnc(Nc2ccccc2)s1- InChIKey
SPOBELGUDZKBFG-UHFFFAOYSA-N- Molecular formula
- C9H8ClN3S
- Average molar mass
- 225.7 g/mol
- Monoisotopic mass
- 225.0127461
Names & identifiers
- Preferred name
- 5-(Chloromethyl)-n-phenyl-1,3,4-thiadiazol-2-amine
- IUPAC
- 5-(chloromethyl)-N-phenyl-1,3,4-thiadiazol-2-amine
Names & synonyms
5-(chloromethyl)-n-phenyl-1,3,4-thiadiazol-2-amineNSC155322SPOBELGUDZKBFG-UHFFFAOYSA-NAKOS015996698NSC-155322
Database identifiers
- CAS
7119-00-8- PubChem CID
- 290883
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 175
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Compound notes
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