4-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylamino]benzoic acid
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![4-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylamino]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/fe4034dabb264b88b743c7bbde4f5bf9.png "4-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylamino]benzoic acid")
4-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylamino]benzoic acid
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CAS No:
39883-83-5
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Formula:
C15H12N2O2S2
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Chemical Name:
4-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylamino]benzoic acid
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Synonyms:
4-[(2-thioxo-benzothiazol-3-ylmethyl)-amino]-benzoic acid; benzoic acid,4-[[(2-thioxo-3(2h)-benzothiazolyl)methyl]amino];
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CAS No:
4-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylamino]benzoic acid Basic Attributes
316.39800
316.03401998 g/mol
86152
DTXSID60292868
2934200090
Safety Information
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, 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:316.4
XLogP3:3.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:316.03401998
Monoisotopic Mass:316.03401998
Topological Polar Surface Area:110
Heavy Atom Count:21
Complexity:411
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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