Basic information
- CAS
110059-07-9- Standard SMILES
N#CC(=C(N)Sc1ccccc1)C(C#N)=C(N)Sc1ccccc1- InChIKey
BDLRGKKVJJEYLC-UHFFFAOYSA-N- Molecular formula
- C18H14N4S2
- Average molar mass
- 350.5 g/mol
- Monoisotopic mass
- 350.06598881
Names & identifiers
- Preferred name
- Bis[amino(phenylsulfanyl)methylidene]butanedinitrile
- IUPAC
- 2,3-bis[amino(phenylsulfanyl)methylidene]butanedinitrile
Names & synonyms
2,3-Bis[amino(phenylthio)methylene]butanedinitrile110059-07-9bis[amino(phenylsulfanyl)methylidene]butanedinitrileSCHEMBL1801797DTXSID401017999
Database identifiers
- CAS
110059-07-9- PubChem CID
- 5628
- DTXSID
DTXSID401017999
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 539
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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