1,3,4-Thiadiazole-2(3H)-thione, 5-[(4-chloro-2-methylphenyl)amino]-
Basic information
- CAS
61335-31-7- Standard SMILES
Cc1cc(Cl)ccc1Nc1n[nH]c(=S)s1- InChIKey
GMHOELRIXWYSBA-UHFFFAOYSA-N- Molecular formula
- C9H8ClN3S2
- Average molar mass
- 257.8 g/mol
- Monoisotopic mass
- 256.9848173
Names & identifiers
- Preferred name
- 1,3,4-Thiadiazole-2(3H)-thione, 5-[(4-chloro-2-methylphenyl)amino]-
- IUPAC
- 5-(4-chloro-2-methylanilino)-3H-1,3,4-thiadiazole-2-thione
Names & synonyms
61335-31-71,3,4-Thiadiazole-2(3H)-thione, 5-[(4-chloro-2-methylphenyl)amino]-Oprea1_007153DTXSID304007715-(4-Chloro-2-methylanilino)-1,3,4-thiadiazole-2(3H)-thione
Database identifiers
- CAS
61335-31-7- PubChem CID
- 4200523
- DTXSID
DTXSID30400771
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 93.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 295
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Compound notes
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