4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoic acid
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![4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/fa0fbba632834b5390e00d95e6b5753a.png "4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoic acid")
4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoic acid
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CAS No:
5772-92-9
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Formula:
C17H14N2O3S
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Chemical Name:
4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoic acid
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CAS No:
4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoic acid Basic Attributes
326.37000
326.07251349 g/mol
205965
2930909090
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:326.4
XLogP3:3.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:326.07251349
Monoisotopic Mass:326.07251349
Topological Polar Surface Area:111
Heavy Atom Count:23
Complexity:465
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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