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52431-78-4 | 1-(4-Hydroxyphenyl)-1H-tetrazole-5(4H)-thione
CAS No: 52431-78-4 Catalog No: AG003CZU MDL No:MFCD00132898
Product Description
Catalog Number:
AG003CZU
Chemical Name:
1-(4-Hydroxyphenyl)-1H-tetrazole-5(4H)-thione
CAS Number:
52431-78-4
Molecular Formula:
C7H6N4OS
Molecular Weight:
194.2137
MDL Number:
MFCD00132898
IUPAC Name:
1-(4-hydroxyphenyl)-2H-tetrazole-5-thione
InChI:
InChI=1S/C7H6N4OS/c12-6-3-1-5(2-4-6)11-7(13)8-9-10-11/h1-4,12H,(H,8,10,13)
InChI Key:
MOXZSKYLLSPATM-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)n1nn[nH]c1=S
EC Number:
257-909-2
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.026g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
194.212g/mol
Monoisotopic Mass:
194.026g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
92.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| [1-(4-Hydroxy-phen-yl)-1H-tetra-zol-5-ylsulfan-yl]acetic acid. | Acta crystallographica. Section E, Structure reports online 20081201 |
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