3-Methylbenzenecarbothioamide
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3-Methylbenzenecarbothioamide
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CAS No:
2362-63-2
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Formula:
C8H9NS
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Chemical Name:
3-Methylbenzenecarbothioamide
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Synonyms:
Benzenecarbothioamide,3-methyl-;m-Toluamide,thio-;3-Methylbenzenecarbothioamide;m-Methylthiobenzamide;m-Toluthioamide;3-Methylthiobenzamide;3-Methylbenzothioamide;3-Methylbenzene-1-carbothioamide
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CAS No:
Characteristics
58.11000
1.95
yellow granular powder
1.1±0.1 g/cm3
89-90 °C @ Solvent: Ethanol
272.1±33.0 °C at 760 mmHg
118.3±25.4 °C
1.633
Refrigerator (+4ºC)
0.00622mmHg at 25°C
Safety Information
III
6.1
UN2811
R36/37/38
S37/39-S26
Xn: Harmful;
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501
H302
|Warning|H302 (83.33%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:151.23
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:151.04557046
Monoisotopic Mass:151.04557046
Topological Polar Surface Area:58.1
Heavy Atom Count:10
Complexity:133
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
