1H-Dithieno(3',4':3,4;3'',4'':5,6)benz(1,2-b)azirine, 1a,7b-dihydro-
Basic information
- CAS
97606-15-0- Standard SMILES
c1scc2c1-c1cscc1C1NC21- InChIKey
HMWOUGUOKHTEED-UHFFFAOYSA-N- Molecular formula
- C10H7NS2
- Average molar mass
- 205.3 g/mol
- Monoisotopic mass
- 205.00199157
Names & identifiers
- Preferred name
- 1H-Dithieno(3',4':3,4;3'',4'':5,6)benz(1,2-b)azirine, 1a,7b-dihydro-
- IUPAC
- 7,12-dithia-3-azatetracyclo[8.3.0.02,4.05,9]trideca-1(13),5,8,10-tetraene
Names & synonyms
97606-15-0CCRIS 19871a,7b-Dihydroazirino(5,6)benzo(1,2-c:3,4-c')dithiophene 4,5-imineBenzo(1,2-c:3,4-c')dithiophene-7,8-imineBRN 44248031A,7B-DIHYDROAZIRINO[5,6]BENZO[1,2-C:3,4-C']DITHIOPHENE 4,5-IMINE1H-Dithieno(3',4':3,4;3'',4'':5,6)benz(1,2-b)azirine, 1a,7b-dihydro-DTXSID209138004,5-Dihydro-4,5-epiminobenzo[1,2-c:3,4-c']bisthiophene
Database identifiers
- CAS
97606-15-0- PubChem CID
- 198680
- DTXSID
DTXSID20913800
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 221
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