2,5-Dihydro-5-thioxo-1H-tetrazole-1-acetic acid
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2,5-Dihydro-5-thioxo-1H-tetrazole-1-acetic acid
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CAS No:
57658-36-3
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Formula:
C3H4N4O2S
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Chemical Name:
2,5-Dihydro-5-thioxo-1H-tetrazole-1-acetic acid
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Synonyms:
1H-Tetrazole-1-acetic acid,2,5-dihydro-5-thioxo-;2,5-Dihydro-5-thioxo-1H-tetrazole-1-acetic acid;1-(Carboxymethyl)-5-mercaptotetrazole;5-Mercapto-1-tetrazolylacetic acid;1-Carboxymethyl-5-tetrazolethiol;5-Mercapto-1H-tetrazole-1-acetic acid;1-(Carboxymethyl)-5-mercapto-1H-tetrazole;1-Carboxymethyl-5-mercapto-1,2,3,4-tetrazole;2-(5-Sulfanylidene-2,5-dihydro-1H-1,2,3,4-tetrazol-1-yl)acetic acid;2-(5-Sulfanyl-1H-1,2,3,4-tetrazol-1-yl)acetic acid;2-(5-Sulfanylidene-4,5-dihydro-1H-1,2,3,4-tetrazol-1-yl)acetic acid
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CAS No:
2,5-Dihydro-5-thioxo-1H-tetrazole-1-acetic acid Basic Attributes
160.15400
160.15
260-884-0
DTXSID90206357
2942000000
Characteristics
119.70000
-0.95360
White crystalline powder
1.99g/cm3
179-180 °C (decomp)
284.7ºC
126ºC
1.852
Computed Properties
Molecular Weight:160.16
XLogP3:0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:160.00549656
Monoisotopic Mass:160.00549656
Topological Polar Surface Area:109
Heavy Atom Count:10
Complexity:203
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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