Chemical Properties of 1-[(Phenylthio)methyl]pyridinium (CAS 71880-02-9)

1-[(Phenylthio)methyl]pyridinium

InChI
InChI=1S/C12H12NS/c1-3-7-12(8-4-1)14-11-13-9-5-2-6-10-13/h1-10H,11H2/q+1
InChI Key
LHMRTNGWGSTIGK-UHFFFAOYSA-N
Formula
C12H12NS
SMILES
c1ccc(SC[n+]2ccccc2)cc1
Molecular Weight1
202.29
CAS
71880-02-9
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 0.3584 Relay (1.0) Calculated Property
ΔfG° 339.08 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 290.31 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 87.04 kJ/mol Relay (1.0) Calculated Property
IE 7.77 eV Relay (1.0) Calculated Property
log10WS -2.68 Relay (1.0) Calculated Property
logPoct/wat 2.724 Crippen Calculated Property
McVol 160.900 ml/mol McGowan Calculated Property
Pc 3085.90 kPa Relay (1.0-beta) Calculated Property
Tboil 577.06 K Relay (1.0) Calculated Property
Tc 834.84 K Relay (1.0) Calculated Property
Tfus 355.89 K Relay (1.0) Calculated Property
Vc 0.568 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Chalepin. Rutamarin. Aspartic acid-phenylalanine, N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative. Maprotiline M(HO-ethanediyl), diacetylated. Azatadine M (OH-aryl), acetylated. Furo[2,3-c]acridin-6(2H)-one, 1,11-dihydro-5-hydroxy-11-methyl-2-(1-methylethenyl)-, (-)-. 2'-Deoxyadenosine, 3'-O-TBDMS. 2'-Deoxyadenosine, 5'-O-TBDMS. Adenosine, 2',3',5'-tris(O-TBDMSi). 5-O-benzoyl-n-benzyl-2,3-o-(1-methylethylidene)-n-(trifluoroacetyl)pentofuranosylamine. 4'-Dihydroconsabatine. Adenosine, 2',3',5'-tris-O-TMS. 1-Methylhypoxanthine riboside, TMS. Isothipendyl M (hydroxy-), acetylated. Azatadine M (nor), acetylated.

Find more compounds similar to 1-[(Phenylthio)methyl]pyridinium.

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.