3-Heptylsulfanyl-[1,2,4]thiadiazol-5-ylamine
Basic information
- CAS
215593-27-4- Standard SMILES
CCCCCCCSc1nsc(N)n1- InChIKey
SJNIJKHTTZEWSW-UHFFFAOYSA-N- Molecular formula
- C9H17N3S2
- Average molar mass
- 231.4 g/mol
- Monoisotopic mass
- 231.0863899
Names & identifiers
- Preferred name
- 3-Heptylsulfanyl-[1,2,4]thiadiazol-5-ylamine
- IUPAC
- 3-heptylsulfanyl-1,2,4-thiadiazol-5-amine
Names & synonyms
3-Heptylsulfanyl-[1,2,4]thiadiazol-5-ylamineSMR000119223MLS000121891CHEMBL1362720DTXSID501279780HMS2362N07AKOS000506114215593-27-43-(Heptylthio)-1,2,4-thiadiazol-5-amineSR-01000318904SR-01000318904-13-(HEPTYLSULFANYL)-1,2,4-THIADIAZOL-5-AMINE
Database identifiers
- CAS
215593-27-4- PubChem CID
- 3097007
- DTXSID
DTXSID501279780- ChEMBL
CHEMBL1362720
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 146
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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