1-(2-Hydroxyethyl)-1H-tetrazole-5(2H)-thione - CAS 56610-81-2
Catalog: |
BB029420 |
Product Name: |
1-(2-Hydroxyethyl)-1H-tetrazole-5(2H)-thione |
CAS: |
56610-81-2 |
Synonyms: |
1-(2-hydroxyethyl)-2H-tetrazole-5-thione; 1-(2-hydroxyethyl)-2H-tetrazole-5-thione |
IUPAC Name: | 1-(2-hydroxyethyl)-2H-tetrazole-5-thione |
Description: | 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. |
Molecular Weight: | 146.17 |
Molecular Formula: | C3H6N4OS |
Canonical SMILES: | C(CO)N1C(=S)N=NN1 |
InChI: | InChI=1S/C3H6N4OS/c8-2-1-7-3(9)4-5-6-7/h8H,1-2H2,(H,4,6,9) |
InChI Key: | YKYUEQRWYGVUKB-UHFFFAOYSA-N |
Boiling Point: | 221.4 °C at 760 mmHg |
Density: | 1.76 g/cm3 |
Appearance: | White to off-white crystalline powder |
LogP: | -1.04590 |
GHS Hazard Statement: | H228 (100%): Flammable solid [Danger Flammable solids]; H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] |
Precautionary Statement: | P210, P240, P241, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P370+P378, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113463142-A | Electroplating hole filling composition and electroplating hole filling method thereof | 20210603 |
CN-110143973-B | Preparation process of flomoxef sodium | 20190612 |
JP-2017165836-A | Wet wire drawing composition | 20160315 |
CN-105399755-A | Method for synthesizing flomoxef acid | 20151103 |
KR-101314500-B1 | Oxacefem formulations with improved stability and preparation methods thereof | 20121228 |
Complexity: | 147 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 146.026232 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 146.026232 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 92.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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