2-PHENYLETHANETHIOAMIDE
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2-PHENYLETHANETHIOAMIDE
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CAS No:
645-54-5
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Formula:
C8H9NS
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Chemical Name:
2-PHENYLETHANETHIOAMIDE
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Synonyms:
NSC 52357;NSC 235948;Phenylacetothioamide;OTAVA-BB BB7018890438;Benzeneethanethioamide;2-PHENYLETHANETHIOAMIDE;Acetamide, 2-phenylthio-;2-Phenylthioacetamide, 97%
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CAS No:
Characteristics
58.1
2.21550
1.155g/cm3
96-98ºC
277.3ºC at 760 mmHg
121.5ºC
1.63
Slightly Soluble in water (1.8 g/L) (25°C).
Safety Information
R22;R36/37/38
S27;S36/S37
Xn
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501
H302+H312+H332
|Warning|H302+H312+H332 (14.29%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 8 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:151.23
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:151.04557046
Monoisotopic Mass:151.04557046
Topological Polar Surface Area:58.1
Heavy Atom Count:10
Complexity:116
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes