-
Name
2-METHYLBENZYL MERCAPTAN
- EINECS
- CAS No. 7341-24-4
- Article Data3
- CAS DataBase
- Density 1.015 g/cm3
- Solubility
- Melting Point
- Formula C8H10S
- Boiling Point 220.4 °C at 760 mmHg
- Molecular Weight 138.233
- Flash Point 86.8 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Methanethiol,o-tolyl- (7CI,8CI);(2-Methylphenyl)methanethiol;2-Methylbenzyl mercaptan;2-Methyltoluene-a-thiol;NSC 148323;o-Methylbenzyl mercaptan;o-Tolylmethanethiol;o-Tolylmethylmercaptan;o-Xylene-a-thiol;
- PSA 38.80000
- LogP 2.42480
Benzenemethanethiol,2-methyl- Specification
The Benzenemethanethiol,2-methyl-, with the CAS registry number 7341-24-4, has the systematic name of (2-methylphenyl)methanethiol. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C8H10S.
The characteristics of Benzenemethanethiol,2-methyl- are as followings: (1)ACD/LogP: 3.20; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 0; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 25.3 Å2; (7)Index of Refraction: 1.558; (8)Molar Refractivity: 43.89 cm3; (9)Molar Volume: 136 cm3; (10)Polarizability: 17.39×10-24cm3; (11)Surface Tension: 36.1 dyne/cm; (12)Density: 1.015 g/cm3; (13)Flash Point: 86.8 °C; (14)Enthalpy of Vaporization: 43.83 kJ/mol; (15)Boiling Point: 220.4 °C at 760 mmHg; (16)Vapour Pressure: 0.167 mmHg at 25°C.
Uses of Benzenemethanethiol,2-methyl-: It can react with 2-hydroxyethylthioisothiouronium chloride to produce 2-(2-methyl-benzyldisulfanyl)-ethanol. This reaction will need reagent NaHCO3, and the menstruum methanol and H2O. The reaction time is 2 hours with temperature of 0-5°C, and the yield is about 65%.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: SCc1ccccc1C
(2)InChI: InChI=1/C8H10S/c1-7-4-2-3-5-8(7)6-9/h2-5,9H,6H2,1H3
(3)InChIKey: PJUDFYDAJBQPEA-UHFFFAOYAP
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