[(1-Methyl-1h-tetrazol-5-yl)thio]acetic acid - CAS 55862-52-7
Catalog: |
BB050561 |
Product Name: |
[(1-Methyl-1h-tetrazol-5-yl)thio]acetic acid |
CAS: |
55862-52-7 |
Synonyms: |
(1-METHYL-1 H-TETRAZOL-5-YLSULFANYL)-ACETIC ACID; [(1-METHYL-1H-TETRAZOL-5-YL)THIO]ACETIC ACID; AKOS B021927; ACETIC ACID, [(1-METHYL-1H-TETRAZOL-5-YL)THIO]-; AKOS BBS-00001870; CHEMBRDG-BB 4004251; ART-CHEM-BB B021927; TIMTEC-BB SBB009576 |
IUPAC Name: | 2-(1-methyltetrazol-5-yl)sulfanylacetic acid |
Description: | [(1-Methyl-1h-tetrazol-5-yl)thio]acetic acid (CAS# 55862-52-7 ) is a useful research chemical. |
Molecular Weight: | 174.18 |
Molecular Formula: | C4H6N4O2S |
Canonical SMILES: | CN1C(=NN=N1)SCC(=O)O |
InChI: | InChI=1S/C4H6N4O2S/c1-8-4(5-6-7-8)11-2-3(9)10/h2H2,1H3,(H,9,10) |
InChI Key: | SAKPCQKTTXWGQA-UHFFFAOYSA-N |
Boiling Point: | 414.5 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.71 g/cm3 |
Appearance: | Solid |
Complexity: | 155 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 174.02114662 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 174.02114662 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 106 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.3 |
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