CHEMBRDG-BB 7433700
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CHEMBRDG-BB 7433700
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CAS No:
371126-60-2
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Formula:
C6H9N3O2S
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Chemical Name:
CHEMBRDG-BB 7433700
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Synonyms:
CHEMBRDG-BB 7433700;OTAVA-BB BB7013170339;[(3-ETHYL-1H-1,2,4-TRIAZOL-5-YL)THIO]ACETIC ACID;AKOS BBS-00008973;OTAVA-BB 7013170339;[(3-ethyl-1H-1,2,4-triazol-5-yl)thio]acetic acid(SALTDATA: FREE);[(3-Ethyl-1H-1,2,4-triazol-5-yl)sulfanyl]acetic acid;2-[(5-Ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid
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CAS No:
Computed Properties
Molecular Weight:187.22
XLogP3:1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:187.04154771
Monoisotopic Mass:187.04154771
Topological Polar Surface Area:104
Heavy Atom Count:12
Complexity:167
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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