4-Amino-4H-1,2,4-triazole-3-thiol - CAS 4343-75-3
Catalog: |
BB047229 |
Product Name: |
4-Amino-4H-1,2,4-triazole-3-thiol |
CAS: |
4343-75-3 |
Synonyms: |
4-amino-3-mercapto-4h-1,2,4-triazole; 4-Amino-1,2,4-triazole-3-thiol |
IUPAC Name: | 4-amino-1H-1,2,4-triazole-5-thione |
Description: | 4-Amino-4H-1,2,4-triazole-3-thiol (CAS# 4343-75-3 ) is a useful research chemical. |
Molecular Weight: | 116.15 |
Molecular Formula: | C2H4N4S |
Canonical SMILES: | C1=NNC(=S)N1N |
InChI: | InChI=1S/C2H4N4S/c3-6-1-4-5-2(6)7/h1H,3H2,(H,5,7) |
InChI Key: | DLLBXBCKFUPBJE-UHFFFAOYSA-N |
Boiling Point: | 190.1 °C at 760 mmHg |
Melting Point: | 156-158 °C |
Purity: | 97 % |
Density: | 1.89 g/cm3 |
Appearance: | Solid |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 119 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 116.01566732 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 116.01566732 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 85.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.8 |
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