Chemical Properties of 2-Benzothiazolinethione, 3-(4-nitrophenylaminomethyl)- (CAS 60431-65-4)

2-Benzothiazolinethione, 3-(4-nitrophenylaminomethyl)-

InChI
InChI=1S/C14H11N3O2S2/c18-17(19)11-7-5-10(6-8-11)15-9-16-12-3-1-2-4-13(12)21-14(16)20/h1-8,15H,9H2
InChI Key
UTKZLNADJQUIFU-UHFFFAOYSA-N
Formula
C14H11N3O2S2
SMILES
O=[N+]([O-])c1ccc(NCn2c(=S)sc3ccccc32)cc1
Molecular Weight1
317.39
CAS
60431-65-4
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 0.7318 Relay (1.0) Calculated Property
ΔfG° 447.08 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 311.72 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 152.48 kJ/mol Relay (1.0) Calculated Property
IE 7.65 eV Relay (1.0) Calculated Property
log10WS -5.06 Relay (1.0) Calculated Property
logPoct/wat 4.410 Crippen Calculated Property
McVol 215.520 ml/mol McGowan Calculated Property
Pc 3880.28 kPa Relay (1.0-beta) Calculated Property
Tboil 707.89 K Relay (1.0) Calculated Property
Tc 1089.66 K Relay (1.0) Calculated Property
Tfus 459.87 K Relay (1.0) Calculated Property
Vc 0.723 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

3-(3-Nitroanilinomethyl)-2-benzothiazolinethione. 3-Anilinomethyl-2(3)-benzole thiazolethione. 2-Benzothiazolinethione, 3-(o-chloroanilinomethyl)-. Anthranilic acid, n-[(2-thioxo-benzothiazolin-3-yl)methyl]-. 2(1H)-Pyrimidinone, 1-[2,3-bis-O-(trimethylsilyl)-«beta»-D-ribofuranosyl]-4-(trimethylsiloxy)-, 5'-[bis(trimethylsilyl) phosphate]. 1-Alpha-2-methyl-8-methoxy-6,7-methylenedioxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinoline. cis-1,2-Tetralinediol, ferrocenylboronate. Butorphanol di-TMS derivative. N-Desmethylmirtazapine. norbormide. Hydrastine. Noscapine. Cytosine arabinoside, dimethyl-allyldimethylsilyl derivative. (2-Hydroxy-3-phenyl-1,2-dihydroquinoxalin-1-yl)phenyl(3-phenyl-1-benzyl-1,2-dihydroquinoxalin-2-yl)methane. 1,2,3,4-Tetrahydroanthracene-cis-1,2-diol, ferrocenylboronate.

Find more compounds similar to 2-Benzothiazolinethione, 3-(4-nitrophenylaminomethyl)-.

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.