Basic information
- CAS
4291-14-9- Standard SMILES
c1ccc(-c2nncs2)cc1- InChIKey
ZMJRUUBDMPKHJS-UHFFFAOYSA-N- Molecular formula
- C8H6N2S
- Average molar mass
- 162.21 g/mol
- Monoisotopic mass
- 162.02516937
Names & identifiers
- Preferred name
- 2-Phenyl-1,3,4-thiadiazole
- IUPAC
- 2-phenyl-1,3,4-thiadiazole
Names & synonyms
2-phenyl-1,3,4-thiadiazole1,3,4-Thiadiazole, 5-phenyl-4291-14-9DTXSID70195558RefChem:1064122DTXCID101180495-Phenyl-1,3,4-thiadiazoleL 15385-Fenil-1,3,4-tiadiazolo [Italian]BRN 01192255-Fenil-1,3,4-tiadiazolo4-27-00-07141 (Beilstein Handbook Reference)
Show more names
SCHEMBL211022SCHEMBL572719SCHEMBL1002366SCHEMBL1002367SCHEMBL2952370AKOS006372935
Database identifiers
- CAS
4291-14-9- PubChem CID
- 199501
- DTXSID
DTXSID70195558- Nikkaji
- J2.315.040I
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 123
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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