Basic information
- CAS
46036-68-4- Standard SMILES
N=c1cc(-c2ccccc2)ss1- InChIKey
QABBQIGDZQUNKN-UHFFFAOYSA-N- Molecular formula
- C9H7NS2
- Average molar mass
- 193.3 g/mol
- Monoisotopic mass
- 193.00199157
Overview
structure given in first source
Names & identifiers
- Preferred name
- 3-imino-5-phenyl-3H-1,2-dithiole
- IUPAC
- 5-phenyldithiol-3-imine
- English name
- 3-imino-5-phenyl-3H-1,2-dithiole
- Molecular weight
- 0
Names & synonyms
PDTI3-Imino-5-phenyl-3H-1,2-dithiole46036-68-4RefChem:944193H-1,2-Dithiol-3-imine, 5-phenyl-5-phenyl-3H-1,2-dithiol-3-imineSCHEMBL29477153DTXSID10963490
Database identifiers
- CAS
46036-68-4- PubChem CID
- 6452040
- DTXSID
DTXSID10963490
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 74.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 217
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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