3-(4-Amino-5-mercapto-4H-1,2,4-triazol-3-YL)propan-1-OL - CAS 828295-64-3
Catalog: |
BB047685 |
Product Name: |
3-(4-Amino-5-mercapto-4H-1,2,4-triazol-3-YL)propan-1-OL |
CAS: |
828295-64-3 |
Synonyms: |
3-(4-amino-5-sulfanyl-4H-1,2,4-triazol-3-yl)propan-1-ol |
IUPAC Name: | 4-amino-3-(3-hydroxypropyl)-1H-1,2,4-triazole-5-thione |
Description: | 3-(4-Amino-5-mercapto-4H-1,2,4-triazol-3-YL)propan-1-OL (CAS# 828295-64-3 ) is a useful research chemical. |
Molecular Weight: | 174.23 |
Molecular Formula: | C5H10N4OS |
Canonical SMILES: | C(CC1=NNC(=S)N1N)CO |
InChI: | InChI=1S/C5H10N4OS/c6-9-4(2-1-3-10)7-8-5(9)11/h10H,1-3,6H2,(H,8,11) |
InChI Key: | NUUWIPRZVITIBW-UHFFFAOYSA-N |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 174.05753213 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 174.05753213 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 106 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.2 |
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