Chemical Properties of Benzo[b]thiophene-2-carboxaldehyde, 7-methyl- (CAS 3751-76-6)

Benzo[b]thiophene-2-carboxaldehyde, 7-methyl-

InChI
InChI=1S/C10H8OS/c1-7-3-2-4-8-5-9(6-11)12-10(7)8/h2-6H,1H3
InChI Key
MLLVSGDRQOXPNS-UHFFFAOYSA-N
Formula
C10H8OS
SMILES
Cc1cccc2cc(C=O)sc12
Molecular Weight1
176.24
CAS
3751-76-6
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Physical Properties

Property Value Unit Source
ω 0.4617 Relay (1.0) Calculated Property
ΔfG° 59.95 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 5.01 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 78.32 kJ/mol Relay (1.0) Calculated Property
IE 8.42 eV Relay (1.0) Calculated Property
log10WS -3.31 Relay (1.0) Calculated Property
logPoct/wat 3.022 Crippen Calculated Property
McVol 130.760 ml/mol McGowan Calculated Property
Pc 4238.85 kPa Relay (1.0-beta) Calculated Property
Tboil 572.06 K Relay (1.0) Calculated Property
Tc 843.07 K Relay (1.0) Calculated Property
Tfus 340.67 K Relay (1.0) Calculated Property
Vc 0.469 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Benzo[b]thiophene, 2,7-dimethyl-. Benzo[b]thiophene, 2,5,7-trimethyl-. Benzothiophene, 2,3,7-trimethyl. Benzo[b]thiophene, 2-ethyl-5,7-dimethyl-. 2,6-Dimethyldibenzothiophene. Benzo[b]thiophene, 7-methyl. Benzo[b]naphtho[2,3]thiophene, 4-methyl. 2,4,7-trimethyl-dibenzothiophene. Benzo[b]thiophene, 2,5-dimethyl-. Dibenzothiophene, 4-methyl-. Benzo[b]naphtho[2,1d]thiophene, 8-methyl. Benzothiophene, 2,3,6-trimethyl. 2,3,5-trimethyl-benzothiophene. Dibenzothiophene, 3,6-dimethyl. Dibenzothiophene, 1,6-dimethyl.

Find more compounds similar to Benzo[b]thiophene-2-carboxaldehyde, 7-methyl-.

Sources

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