Chemical Properties of C9H8N2O2S (CAS 3042-00-0)

C9H8N2O2S

InChI
InChI=1S/C9H8N2O2S/c12-8(13)5-14-9-10-6-3-1-2-4-7(6)11-9/h1-4H,5H2,(H,10,11)(H,12,13)
InChI Key
UYNVBLJQBCTRKV-UHFFFAOYSA-N
Formula
C9H8N2O2S
SMILES
O=C(O)CSc1nc2ccccc2[nH]1
Molecular Weight1
208.24
CAS
3042-00-0
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Physical Properties

Property Value Unit Source
ω 0.7301 Relay (1.0) Calculated Property
ΔfG° -14.90 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -194.00 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 117.25 kJ/mol Relay (1.0) Calculated Property
IE 7.82 eV Relay (1.0) Calculated Property
log10WS -2.66 Relay (1.0) Calculated Property
logPoct/wat 1.258 Crippen Calculated Property
McVol 142.500 ml/mol McGowan Calculated Property
Pc 5048.06 kPa Relay (1.0-beta) Calculated Property
Tboil 626.01 K Relay (1.0) Calculated Property
Tc 952.77 K Relay (1.0) Calculated Property
Tfus 518.49 K Relay (1.0) Calculated Property
Vc 0.507 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

1H-Benzimidazole, 2-(methylthio)-. 2-Benzimidazolethiol. 5-Amino-2-benzimidazolethiol. Cyclopropanecarboxamide, n-benzimidazole-2-yl-. 1H-Benzimidazole, 2-(1,1-dimethylethyl)-. 1H-Benzimidazole-2-acetonitrile,«alpha»-(phenylmethylene)-. Rabenzazole. Propionamide, n-(benzimidazol-2-yl)-2-methyl-. 5-Benzimidazole carbonitrile, 2-(trifluoromethyl)-. 2-Benzimidazoleethanethiol. 2-Trifluoromethylbenzimidazole. 1H-Benzimidazole, 2-methyl-. 2-Chlorobenzimidazole. 1H-Benzimidazol-2-acetonitrile,«alpha»([4-nitrophenyl]methylene)-. 1H-Benzimidazole, 2-(1-methylethyl)-.

Find more compounds similar to C9H8N2O2S.

Sources

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