1,2-Dihydro-1-(2-hydroxyethyl)-5H-tetrazole-5-thione
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1,2-Dihydro-1-(2-hydroxyethyl)-5H-tetrazole-5-thione
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CAS No:
56610-81-2
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Formula:
C3H6N4OS
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Chemical Name:
1,2-Dihydro-1-(2-hydroxyethyl)-5H-tetrazole-5-thione
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Synonyms:
5H-Tetrazole-5-thione,1,2-dihydro-1-(2-hydroxyethyl)-;1,2-Dihydro-1-(2-hydroxyethyl)-5H-tetrazole-5-thione;1-(2-Hydroxyethyl)tetrazole-5-thiol;5-Mercapto-1-tetrazoleethanol;5-Mercapto-1-(2-hydroxyethyl)-1H-tetrazole;1-(2-Hydroxyethyl)-5-mercaptotetrazole;[1-(2-Hydroxyethyl)-1H-1H-tetrazol-5-yl]thiol;1-(2-Hydroxyethyl)-5-mercapto-1H-tetrazole;1-(2-Hydroxyethyl)-1H-tetrazole-5-thiol;1-(2-Hydroxyethyl)-2H-tetrazole-5-thione;2-(5-Sulfanyl-1H-1,2,3,4-tetrazol-1-yl)ethan-1-ol;84314-87-4
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CAS No:
1,2-Dihydro-1-(2-hydroxyethyl)-5H-tetrazole-5-thione Basic Attributes
146.17
146.17
1806241-263-5
DTXSID00437877
Characteristics
92.3
0.6
white crystals or crystalline powder
1.8±0.1 g/cm3
137-139ºC
221.4ºC at 760mmHg
2 °C
1.789
Safety Information
UN 1648 3/PG 2
3
11-20/21/22-36-36/37/38-23/24/25
26-36-45-36/37/39-36/37-16
F,Xn,Xi,T
Irritant
1,2-Dihydro-1-(2-hydroxyethyl)-5H-tetrazole-5-thione Use and Manufacturing
2-(5-Mercaptotetrazole-1-yl)ethanolis a mercaptotetrazole derivative used as an intermediate in the preparation of beta-lactam antibiotic Flomoxef (F401850) as well one of its metabolite. 2-(5-Mercaptotetrazole-1-yl)ethanol also shows vitamin K-dependent glutamylcarboxylase inhibitory activity.
Computed Properties
Molecular Weight:146.17
XLogP3:0.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:146.02623200
Monoisotopic Mass:146.02623200
Topological Polar Surface Area:92.3
Heavy Atom Count:9
Complexity:147
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1,2-Dihydro-1-(2-hydroxyethyl)-5H-tetrazole-5-thione
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