2-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetic acid
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2-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetic acid
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CAS No:
42047-33-6
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Formula:
C5H7N3O2S
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Chemical Name:
2-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetic acid
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Synonyms:
4H-1,2,4-Triazole-4-acetic acid,1,5-dihydro-3-methyl-5-thioxo; 3-Methyl-4-carboxymethyl-1,2,4-triazolthion-5;
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CAS No:
2-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetic acid Basic Attributes
173.19300
173.02589765
DTXSID90546886
2933990090
Computed Properties
Molecular Weight:173.20
XLogP3:-0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:173.02589765
Monoisotopic Mass:173.02589765
Topological Polar Surface Area:97
Heavy Atom Count:11
Complexity:238
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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