Basic information
- CAS
5770-97-8- Standard SMILES
Cn1nc(-c2ccccc2)sc1=S- InChIKey
XFXHZWGGDQXLQO-UHFFFAOYSA-N- Molecular formula
- C9H8N2S2
- Average molar mass
- 208.3 g/mol
- Monoisotopic mass
- 208.01289061
Names & identifiers
- Preferred name
- 1,3,4-Thiadiazole-2(3H)-thione, 3-methyl-5-phenyl-
- IUPAC
- 3-methyl-5-phenyl-1,3,4-thiadiazole-2-thione
Names & synonyms
1,3,4-Thiadiazole-2(3H)-thione, 3-methyl-5-phenyl-5770-97-8DTXSID90206413RefChem:217054DTXCID901289041,3,4-Thiadiazole-2(3H)-thione,3-methyl-5-phenyl-3-methyl-5-phenyl-1,3,4-thiadiazole-2(3H)-thione
Database identifiers
- CAS
5770-97-8- PubChem CID
- 138589
- DTXSID
DTXSID90206413- Nikkaji
- J648.805F
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 73 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 244
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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