2-[(1-Methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoic acid - CAS 869942-41-6
Catalog: |
BB049693 |
Product Name: |
2-[(1-Methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoic acid |
CAS: |
869942-41-6 |
Synonyms: |
2-(1-methyl-1,2,3,4-tetraazol-5-ylthio)propanoic acid |
IUPAC Name: | 2-(1-methyltetrazol-5-yl)sulfanylpropanoic acid |
Description: | 2-[(1-Methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoic acid (CAS# 869942-41-6 ) is a useful research chemical. |
Molecular Weight: | 188.21 |
Molecular Formula: | C5H8N4O2S |
Canonical SMILES: | CC(C(=O)O)SC1=NN=NN1C |
InChI: | InChI=1S/C5H8N4O2S/c1-3(4(10)11)12-5-6-7-8-9(5)2/h3H,1-2H3,(H,10,11) |
InChI Key: | KZFCUJBAOQBABS-UHFFFAOYSA-N |
Boiling Point: | 400.8±47.0 ℃ at 760 mmHg |
Density: | 1.6±0.1 g/cm3 |
Complexity: | 179 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 188.03679668 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.03679668 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 106 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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