1-(4-Hydroxyphenyl)-1H-tetrazole-5-thiol - CAS 52431-78-4
Catalog: |
BB027826 |
Product Name: |
1-(4-Hydroxyphenyl)-1H-tetrazole-5-thiol |
CAS: |
52431-78-4 |
Synonyms: |
1-(4-hydroxyphenyl)-2H-tetrazole-5-thione |
IUPAC Name: | 1-(4-hydroxyphenyl)-2H-tetrazole-5-thione |
Description: | 1-(4-Hydroxyphenyl)-1H-tetrazole-5-thiol (CAS# 52431-78-4) is a useful research chemical. |
Molecular Weight: | 194.21 |
Molecular Formula: | C7H6N4OS |
Canonical SMILES: | C1=CC(=CC=C1N2C(=S)N=NN2)O |
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 |
Boiling Point: | 332.8 ℃ at 760 mmHg |
Density: | 1.63 g/cm3 |
Appearance: | White to yellowish crystalline powder |
MDL: | MFCD00132898 |
LogP: | 0.65660 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
21581419 | 20081126 | [1-(4-Hydroxy-phen-yl)-1H-tetra-zol-5-ylsulfan-yl]acetic acid | Acta crystallographica. Section E, Structure reports online |
Complexity: | 237 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.02623200 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.02623200 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 92.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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Triazole/Tetrazole
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