Product Name: 6,13-Dihydrobenzo[e][1]benzothiopyrano[4,3-b]indole
Molecular Formula: C19H13NS
Molecular Weight: 287.378220 g/mol
Canonical SMILES: c12c(c3c4c(cccc4)ccc3[nH]1)CSc1c2cccc1
InChI: InChI=1/C19H13NS/c1-2-6-13-12(5-1)9-10-16-18(13)15-11-21-17-8-4-3-7-14(17)19(15)20-16/h1-10,20H,11H2
Mol File: 10023-25-3.mol
XLogP3-AA: 5
H-Bond Donor: 1
H-Bond Acceptor: 0
Rotatable Bond Count: 0
Exact Mass: 287.07687
MonoIsotopic Mass: 287.07687
Topological Polar Surface Area: 15.8
Heavy Atom Count: 21
Complexity: 397
Classification Code: Mutation data,Tumor data
Index of Refraction: 1.816
Molar Refractivity: 92.07 cm3
Molar Volume: 212.1 cm3
Polarizability: 36.5×10-24cm3
Surface Tension: 68.2 dyne/cm
Density: 1.354 g/cm3
Flash Point: 299 °C
Enthalpy of Vaporization: 82.41 kJ/mol
Boiling Point: 570.7 °C at 760 mmHg
Vapour Pressure of Benzo(e)(1)benzothiopyrano(4,3-b)indole, 6,13-dihydro- (CAS NO.10023-25-3): 1.91E-12 mmHg at 25 °C
1. | mma-sat 100 µg/plate | MUREAV Mutation Research. 66 (1979),307. |
Questionable carcinogen with experimental neoplastigenic data. Mutation data reported. When heated to decomposition Benzo(e)(1)benzothiopyrano(4,3-b)indole, 6,13-dihydro- (CAS NO.10023-25-3) emits very toxic fumes of SOx and NOx.
Benzo(e)(1)benzothiopyrano(4,3-b)indole, 6,13-dihydro- (CAS NO.10023-25-3), its Synonym is 6,13-Dihydrobenzo(e)(1)benzothiopyrano(4,3-b)indole .
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