5,5'-(Hexane-1,6-diylbis(sulfanediyl))bis(1,3,4-thiadiazol-2-amine)
Basic information
- CAS
87202-61-7- Standard SMILES
Nc1nnc(SCCCCCCSc2nnc(N)s2)s1- InChIKey
JMXXEYVCEPBGQS-UHFFFAOYSA-N- Molecular formula
- C10H16N6S4
- Average molar mass
- 348.5 g/mol
- Monoisotopic mass
- 348.03192923
Names & identifiers
- Preferred name
- 5,5'-(Hexane-1,6-diylbis(sulfanediyl))bis(1,3,4-thiadiazol-2-amine)
- IUPAC
- 5-[6-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]hexylsulfanyl]-1,3,4-thiadiazol-2-amine
Names & synonyms
87202-61-75,5'-(Hexane-1,6-diylbis(sulfanediyl))bis(1,3,4-thiadiazol-2-amine)NSC360194DTXSID00320477NSC-3601945,5'-(Hexane-1,6-diyldisulfanediyl)di(1,3,4-thiadiazol-2-amine)5,5'-[Hexane-1,6-diylbis(sulfanediyl)]di(1,3,4-thiadiazol-2-amine)
Database identifiers
- CAS
87202-61-7- PubChem CID
- 338313
- DTXSID
DTXSID00320477
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 211 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 248
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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