Chemistry informtion about 12H-Pyrido(2,3-A)Thieno(2,3-I)Carbazole(CAS NO.240-39-1) is:
Systematic Name: 12H-Pyrido(2,3-a)thieno(2,3-i)carbazole
Molecular Weight: 274.3397 [g/mol]
Molecular Formula: C17H10N2S
XLogP3-AA: 4.7
H-Bond Donor: 1
H-Bond Acceptor: 1
Density: 1.467 g/cm3
Flash Point: 292.4 °C
Enthalpy of Vaporization: 82.04 kJ/mol
Boiling Point: 567.6 °C at 760 mmHg
Vapour Pressure: 2.58E-12 mmHg at 25°C
Index of Refraction: 1.923
Molar Refractivity: 88.53 cm3
Molar Volume: 186.9 cm3
Polarizability: 35.09 10-24cm3
Surface Tension: 80.2 dyne/cm
Following is the molecular structure of 12H-Pyrido(2,3-A)Thieno(2,3-I)Carbazole(CAS NO.240-39-1) is:
Questionable carcinogen with experimental neoplastigenic data. When heated to decomposition it emits very toxic fumes of NOx and SOx.
Descriptors Computed from Structure about 12H-Pyrido(2,3-A)Thieno(2,3-I)Carbazole(CAS NO.240-39-1) is:
Canonical SMILES: C1=CC2=C(C3=C(C=C2)C4=C(N3)C5=C(C=C4)SC=C5)N=C1
InChI: InChI=1S/C17H10N2S/c1-2-10-3-4-12-11-5-6-14-13(7-9-20-14)16(11)19-17(12)15(10)18-8-1/h1-9,19H
InChIKey: ZDXOCLBLQBZMNM-UHFFFAOYSA-N
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