Basic information
- CAS
101007-45-8- Standard SMILES
CC(C)(C)c1ccc(SCc2nnc(N)s2)cc1- InChIKey
GYUYHBYNZNVZFF-UHFFFAOYSA-N- Molecular formula
- C13H17N3S2
- Average molar mass
- 279.4 g/mol
- Monoisotopic mass
- 279.0863899
Names & identifiers
- Preferred name
- 5-[[[4-(1,1-Dimethylethyl)phenyl]thio]methyl]-1,3,4-thiadiazol-2-amine
- IUPAC
- 5-[(4-tert-butylphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine
Names & synonyms
101007-45-8DTXSID9011555725-[[[4-(1,1-Dimethylethyl)phenyl]thio]methyl]-1,3,4-thiadiazol-2-amineAKOS0191804045-{[(4-tert-Butylphenyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-amine
Database identifiers
- CAS
101007-45-8- PubChem CID
- 13592016
- DTXSID
DTXSID901155572
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 259
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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