Chemical Properties of 2-Benzoxazolethiol, 5-phenyl- (CAS 17371-99-2)

2-Benzoxazolethiol, 5-phenyl-

PDF Excel Molecule Calculator
InChI
InChI=1S/C13H9NOS/c16-13-14-11-8-10(6-7-12(11)15-13)9-4-2-1-3-5-9/h1-8H,(H,14,16)
InChI Key
QKLMWNVNJBXKRG-UHFFFAOYSA-N
Formula
C13H9NOS
SMILES
Sc1nc2cc(-c3ccccc3)ccc2o1
Molecular Weight1
227.28
CAS
17371-99-2
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ω 0.5151 Relay (... Calculated Property
ΔfG° 237.32 kJ/mol Relay (... Calculated Property ⚠️
ΔfH°gas 136.38 kJ/mol Relay (... Calculated Property
ΔvapH° 111.08 kJ/mol Relay (... Calculated Property
IE 7.87 eV Relay (... Calculated Property
log10WS -5.30 Relay (... Calculated Property
logPoct/wat 3.784 Crippen Calculated Property
McVol 163.550 ml/mol McGowan Calculated Property
Pc 3853.31 kPa Relay (... Calculated Property ⚠️
Tboil 630.65 K Relay (... Calculated Property
Tc 939.78 K Relay (... Calculated Property
Tfus 471.18 K Relay (... Calculated Property
Vc 0.606 m3/kmol Relay (... Calculated Property

Similar Compounds

2-Acetyl-1,2,3,4,9,13b-hexahydro-2,4a-diaza-tribenzo[a,c,E]cyclohepten-7-ol, acetate (ester). Rhodoporphyrin-XV homologue, bis(trimethylsiloxy)silicon(IV) derivative. GA32, MeTMSi. Methyl-12-cytisine acetate. 11-Allylcytisine. 7,8-Dihydro-l-biopterin, pentakis(trimethylsilyl) derivative. Mirtazapine. SCHEMBL9488362. trimethylsilyl 1-trimethylsilyl-5-trimethylsiloxy-3-(2-trimethylsilylamino)indolepropionate. Benzofuran-5-propanol, 2,3-dihydro-7-hydroxy-3-hydroxymethyl-2-(4-hydroxy-3-methoxyphenyl), tetrakis-TMS. Cyclothiazide. Benzofuran-5-propanol, 2,3-dihydro-3-hydroxymethyl-7-methoxy-2-(4-hydroxy-3-methoxyphenyl), tris-TMS. 2-Methyl-1,2,3,4,9,13b-hexahydro-2,4a-diaza-tribenzo[a,c,E]cyclohepten-7-ol, acetate. 12-O-Methylcarnosol. Mirtazapine-M (nor-HO-methoxy-) 2AC.

Find more compounds similar to 2-Benzoxazolethiol, 5-phenyl-.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.