Chemical Properties of 3-Methyl-3H-benzothiazol-2-one (CAS 2786-62-1)

3-Methyl-3H-benzothiazol-2-one

InChI
InChI=1S/C8H7NOS/c1-9-6-4-2-3-5-7(6)11-8(9)10/h2-5H,1H3
InChI Key
LSMMRJUHLKJNLR-UHFFFAOYSA-N
Formula
C8H7NOS
SMILES
Cn1c(=O)sc2ccccc21
Molecular Weight1
165.21
CAS
2786-62-1
Other Names
  • 2-Benzothiazolinone, N-methyl-
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Physical Properties

Property Value Unit Source
ω 0.4516 Relay (1.0) Calculated Property
ΔfG° 121.08 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -29.32 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 80.99 kJ/mol Relay (1.0) Calculated Property
IE 8.36 eV Relay (1.0) Calculated Property
log10WS -1.93 Relay (1.0) Calculated Property
logPoct/wat 1.600 Crippen Calculated Property
McVol 116.860 ml/mol McGowan Calculated Property
Pc 4450.23 kPa Relay (1.0-beta) Calculated Property
Tboil 582.64 K Relay (1.0) Calculated Property
Tc 823.94 K Relay (1.0) Calculated Property
Tfus 365.31 K Relay (1.0) Calculated Property
Vc 0.426 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

2-Benzothiazolinone, 3-methyl-. 2(3H)-Benzothiazolethione, 3-methyl-. 2(3H)-Benzothiazolone, 3-methyl-, hydrazone. 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetic acid. 3-Anilinomethyl-2(3)-benzole thiazolethione. 2-Benzothiazolinethione, 3-(4-nitrophenylaminomethyl)-. 2-Benzothiazolinethione, 3-(o-chloroanilinomethyl)-. Anthranilic acid, n-[(2-thioxo-benzothiazolin-3-yl)methyl]-. 3-(3-Nitroanilinomethyl)-2-benzothiazolinethione. Nadolol, acetylated. Glycine-threonine-phenylalanine, N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative. 5-Hydroxytryptophan, methyl, 2-PFP. 4'-Hydroxystanozolol (5A-Androstan-17A-methyl-4',17B-diol-3,2c-pyrazol), TMS. 5«alpha»-Androstan-17«alpha»-methyl-4«beta»,17«beta»-diol-3,2c-pyrazol, TMS. 9,10-Dihydrophenanthrene-cis-9,10-diol, ferrocenylboronate.

Find more compounds similar to 3-Methyl-3H-benzothiazol-2-one.

Sources

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