Chemical Properties of 2(3H)-Benzothiazolethione, 3-methyl- (CAS 2254-94-6)

InChI

InChI=1S/C8H7NS2/c1-9-6-4-2-3-5-7(6)11-8(9)10/h2-5H,1H3

InChI Key

IRNRNPNZAKHEAW-UHFFFAOYSA-N

Formula

C8H7NS2

SMILES

Cn1c(=S)sc2ccccc21

Molecular Weight¹

181.28

CAS

2254-94-6

Other Names

• 2-Benzothiazolinethione, 3-methyl-
• N-Methylbenzothiazoline-2-thione
• 3-Methyl-1,3-benzothiazoline-2-thione
• 3-Methylbenzothiazole-2-thione
• 3-Methylbenzothiazoline-2-thione
• 3-Methylbenzo[d]thiazoline-2-thione
• N-Methylbenzothiazole-2-thione
• 3-Methyl-3H-benzothiazole-2-thione
• 3-methylbenzothiazole-2(3H)-thione

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Similar Compounds

Find more compounds similar to 2(3H)-Benzothiazolethione, 3-methyl-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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