4-Methylbenzenecarbothioamide
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4-Methylbenzenecarbothioamide
structure -
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CAS No:
2362-62-1
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Formula:
C8H9NS
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Chemical Name:
4-Methylbenzenecarbothioamide
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Synonyms:
Benzenecarbothioamide,4-methyl-;p-Toluamide,thio-;4-Methylbenzenecarbothioamide;p-Methylthiobenzamide;p-Methylthiobenzoylamide;4-Methylthiobenzamide;p-Methylbenzothiamide;Thio-p-toluamide;p-Methylbenzenecarbothioamide;4-Methylbenzothioamide
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CAS No:
Characteristics
58.11000
1.95
yellow powder
1.1±0.1 g/cm3
87.5-88.5 °C
258.9±33.0 °C at 760 mmHg
110.4±25.4 °C
1.633
0.0134mmHg at 25°C
Safety Information
III
6.1
UN2811
3
R22;R36/37/38
S37/39-S26
Xn:Harmful;
P305 + P351 + P338
H302-H319
|Warning|H302 (97.73%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-Methylbenzenecarbothioamide Use and Manufacturing
4-Methyl thiobenza mide is a cyclic thioamide building block used in drug discovery chemistry[Cayman Chemical]
Computed Properties
Molecular Weight:151.23
XLogP3:2
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:125
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
