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Benzenecarbothioamide,3-methyl-

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Name

Benzenecarbothioamide,3-methyl-

EINECS N/A
CAS No. 2362-63-2 Density 1.143 g/cm3
PSA 58.11000 LogP 2.32950
Solubility N/A Melting Point 87-89 °C
Formula C8H9NS Boiling Point 272.1 °C at 760 mmHg
Molecular Weight 151.232 Flash Point 118.3 °C
Transport Information N/A Appearance yellow granular powder
Safety 37/39-26 Risk Codes 36/37/38-20/22
Molecular Structure Molecular Structure of 2362-63-2 (3-METHYL-THIOBENZAMIDE) Hazard Symbols HarmfulXn
Synonyms

m-Toluamide,thio- (7CI);3-Methylbenzothioamide;3-Methylthiobenzamide;m-Methylthiobenzamide;m-Toluthioamide;

Article Data 17

Benzenecarbothioamide,3-methyl- Specification

The Benzenecarbothioamide,3-methyl-, with the CAS registry number 2362-63-2, is also known as 3-Methylbenzene-1-carbothioamide, 97%. This chemical's molecular formula is C8H9NS and molecular weight is 151.2288. Its systematic name is called 3-methylbenzenecarbothioamide. This chemical is yellow granular powder.

Physical properties of Benzenecarbothioamide,3-methyl-: (1)ACD/LogP: 1.95; (2)ACD/LogD (pH 5.5): 1.95; (3)ACD/LogD (pH 7.4): 1.95; (4)ACD/BCF (pH 5.5): 17.87; (5)ACD/BCF (pH 7.4): 17.87; (6)ACD/KOC (pH 5.5): 274.04; (7)ACD/KOC (pH 7.4): 274.06; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.633; (12)Molar Refractivity: 47.26 cm3; (13)Molar Volume: 132.2 cm3; (14)Surface Tension: 55.3 dyne/cm; (15)Density: 1.143 g/cm3; (16)Flash Point: 118.3 °C; (17)Enthalpy of Vaporization: 51.03 kJ/mol; (18)Boiling Point: 272.1 °C at 760 mmHg; (19)Vapour Pressure: 0.00622 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful by inhalation and if swallowed. In addition, it is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C(c1cc(ccc1)C)N
(2)InChI: InChI=1/C8H9NS/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H2,9,10)
(3)InChIKey: NUFFXGAGGYWFAV-UHFFFAOYAP

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