Basic information
- CAS
1152-54-1- Standard SMILES
c1ccc(Nc2nnc(Nc3ccccc3)s2)cc1- InChIKey
IFBVXTYQCVAYLA-UHFFFAOYSA-N- Molecular formula
- C14H12N4S
- Average molar mass
- 268.34 g/mol
- Monoisotopic mass
- 268.07826757
Names & identifiers
- Preferred name
- n,n'-Diphenyl-1,3,4-thiadiazole-2,5-diamine
- IUPAC
- 2-N,5-N-diphenyl-1,3,4-thiadiazole-2,5-diamine
Names & synonyms
1152-54-1n,n'-diphenyl-1,3,4-thiadiazole-2,5-diamineNSC132133SCHEMBL11666704DTXSID20921647IFBVXTYQCVAYLA-UHFFFAOYSA-NNSC215238NSC802018NSC-132133NSC-215238NSC-8020182,5-Bis(anilino)-1,3,4-thiadiazole
Show more names
2,5-di(phenylamino)-1-thia-3,4-diazoleAG-690/124132871,3,4-thiadiazole-2,5-diamine, N2,N5-diphenyl-N~2~,N~5~-diphenyl-1,3,4-thiadiazole-2,5-diamineN~2~,N~5~-Diphenyl-1,3,4-thiadiazolidine-2,5-diimine
Database identifiers
- CAS
1152-54-1- PubChem CID
- 280484
- DTXSID
DTXSID20921647- Nikkaji
- J2.088.341C
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 238
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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