3-(Methylthio)-4H-1,2,4-triazol-4-amine - CAS 65901-91-9
Catalog: |
BB046519 |
Product Name: |
3-(Methylthio)-4H-1,2,4-triazol-4-amine |
CAS: |
65901-91-9 |
Synonyms: |
3-(methylsulfanyl)-4H-1,2,4-triazol-4-amine; 3-methylthio-1,2,4-triazole-4-ylamine |
IUPAC Name: | 3-methylsulfanyl-1,2,4-triazol-4-amine |
Description: | 3-(Methylthio)-4H-1,2,4-triazol-4-amine (CAS# 65901-91-9 ) is a useful research chemical. |
Molecular Weight: | 130.17 |
Molecular Formula: | C3H6N4S |
Canonical SMILES: | CSC1=NN=CN1N |
InChI: | InChI=1S/C3H6N4S/c1-8-3-6-5-2-7(3)4/h2H,4H2,1H3 |
InChI Key: | ADOZKMJJGVRACC-UHFFFAOYSA-N |
Boiling Point: | 337.2±25.0 °C at 760 mmHg |
Density: | 1.6±0.1 g/cm3 |
Complexity: | 77.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 130.03131738 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 130.03131738 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 82 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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Related Functional Groups
Amines and Anilines
Sulfur Compounds
Triazole/Tetrazole
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