Chemical Properties of 2-Benzothiazolinethione, 3-(o-chloroanilinomethyl)- (CAS 116400-95-4)

2-Benzothiazolinethione, 3-(o-chloroanilinomethyl)-

InChI
InChI=1S/C14H11ClN2S2/c15-10-5-1-2-6-11(10)16-9-17-12-7-3-4-8-13(12)19-14(17)18/h1-8,16H,9H2
InChI Key
GSMFTTGTJYKLEN-UHFFFAOYSA-N
Formula
C14H11ClN2S2
SMILES
S=c1sc2ccccc2n1CNc1ccccc1Cl
Molecular Weight1
306.83
CAS
116400-95-4
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Physical Properties

Property Value Unit Source
ω 0.5864 Relay (1.0) Calculated Property
ΔfG° 384.15 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 289.25 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 142.92 kJ/mol Relay (1.0) Calculated Property
IE 7.37 eV Relay (1.0) Calculated Property
log10WS -5.15 Relay (1.0) Calculated Property
logPoct/wat 5.155 Crippen Calculated Property
McVol 210.340 ml/mol McGowan Calculated Property
Pc 3835.21 kPa Relay (1.0-beta) Calculated Property
Tboil 685.23 K Relay (1.0) Calculated Property
Tc 1043.64 K Relay (1.0) Calculated Property
Tfus 415.46 K Relay (1.0) Calculated Property
Vc 0.719 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

3-Anilinomethyl-2(3)-benzole thiazolethione. 3-(3-Nitroanilinomethyl)-2-benzothiazolinethione. 2-Benzothiazolinethione, 3-(4-nitrophenylaminomethyl)-. 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]. 1H-pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. N-Desmethylmirtazapine. norbormide. risperidone. Ceftazidime. Cytosine arabinoside, dimethyl-allyldimethylsilyl derivative. 2'-Deoxyguanosine, tris(trimethylsilyl) deriv.. Heptafluorobutyryl-codeine. 9H-purine-6(1h)-thione, 2-amino-9-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. QUINIDINE, M(HO-), AC.

Find more compounds similar to 2-Benzothiazolinethione, 3-(o-chloroanilinomethyl)-.

Sources

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