(1)BENZOTHIOPYRANO(4,3-b)INDOLE, 2-CHLOROBENZO(e)-

HCID 36090

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Basic information

CAS: 32226-65-6
Standard SMILES: Clc1ccc2scc3c4c(ccc5ccccc54)nc-3c2c1
InChIKey: ZLCNGDLAMUFNSM-UHFFFAOYSA-N
Molecular formula: C19H10ClNS
Average molar mass: 319.8 g/mol
Monoisotopic mass: 319.0222482

Names & identifiers

Preferred name: (1)BENZOTHIOPYRANO(4,3-b)INDOLE, 2-CHLOROBENZO(e)-
IUPAC: 16-chloro-20-thia-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(21),2(11),3,5,7,9,12,14(19),15,17-decaene
English name: 2-Chlorobenzo[e][1]benzothiopyrano[4,3-b]indole
Molecular formula: C19H10ClNS
Molecular weight: 319.81

Names & synonyms

32226-65-6(1)BENZOTHIOPYRANO(4,3-b)INDOLE, 2-CHLOROBENZO(e)-2-Chlorobenzo[e][1]benzothiopyrano[4,3-b]indole2-Chlorobenzo(e)(1)benzothiopyrano(4,3-b)indoleBRN 1134575DTXSID20185984Benzo[e][1]benzothiopyrano[4,3-b]indole, 2-chloro-

Database identifiers

CAS: 32226-65-6
PubChem CID: 36090
DTXSID: DTXSID20185984
Nikkaji: J36.090B

Properties

Computed structural properties

XLogP: 6.1
Topological polar surface area: 41.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 22
Formal charge: 0
Complexity: 430

Physicochemical properties

Density: 1.1851 · 1.1851 (rough estimate)
refractive index: 1.6 · 1.6000 (estimate)

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