2-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylamino]benzoic acid
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2-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylamino]benzoic acid
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CAS No:
73791-26-1
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Formula:
C15H12N2O2S2
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Chemical Name:
2-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylamino]benzoic acid
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Synonyms:
N-(2-Thioxobenzothiazolin-3-ylmethyl)-anthranilic acid; Anthranilic acid,N-(2-thioxobenzothiazolin-3-ylmethyl); Benzoic acid, 2-[[(2-thioxo-3(2H)-benzothiazolyl)methyl]amino]-; Benzoic acid,2-[[(2-thioxo-3(2H)-benzothiazolyl)methyl]amino];
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CAS No:
2-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylamino]benzoic acid Basic Attributes
316.39800
316.03401998 g/mol
86153
DTXSID50224198
2934200090
Computed Properties
Molecular Weight:316.4
XLogP3:4.3
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:419
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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