1-Phenyl-1H-tetrazole-5-thiol sodium salt - CAS 15052-19-4
Catalog: |
BB010549 |
Product Name: |
1-Phenyl-1H-tetrazole-5-thiol sodium salt |
CAS: |
15052-19-4 |
Synonyms: |
sodium;1-phenyl-1,2,3-triaza-4-azanidacyclopent-2-ene-5-thione |
IUPAC Name: | sodium;1-phenyl-1,2,3-triaza-4-azanidacyclopent-2-ene-5-thione |
Description: | 1-Phenyl-1H-tetrazole-5-thiol sodium salt (CAS# 15052-19-4 ) is a useful research chemical. |
Molecular Weight: | 200.20 |
Molecular Formula: | C7H5N4NaS |
Canonical SMILES: | C1=CC=C(C=C1)N2C(=S)[N-]N=N2.[Na+] |
InChI: | InChI=1S/C7H6N4S.Na/c12-7-8-9-10-11(7)6-4-2-1-3-5-6;/h1-5H,(H,8,10,12);/q;+1/p-1 |
InChI Key: | RSZMKAPXKXEWBY-UHFFFAOYSA-M |
Boiling Point: | 340.2 °C at 760 mmHg |
MDL: | MFCD00051320 |
LogP: | 1.21870 |
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 |
Complexity: | 215 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 200.01326163 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 200.01326163 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 61 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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