4-Methyl-4H-1,2,4-triazole-3-thiol - CAS 24854-43-1
Catalog: |
BB018641 |
Product Name: |
4-Methyl-4H-1,2,4-triazole-3-thiol |
CAS: |
24854-43-1 |
Synonyms: |
4-methyl-1H-1,2,4-triazole-5-thione |
IUPAC Name: | 4-methyl-1H-1,2,4-triazole-5-thione |
Description: | 4-Methyl-4H-1,2,4-triazole-3-thiol (CAS# 24854-43-1) is a useful research chemical. |
Molecular Weight: | 115.16 |
Molecular Formula: | C3H5N3S |
Canonical SMILES: | CN1C=NNC1=S |
InChI: | InChI=1S/C3H5N3S/c1-6-2-4-5-3(6)7/h2H,1H3,(H,5,7) |
InChI Key: | AGWWTUWTOBEQFE-UHFFFAOYSA-N |
Boiling Point: | 135.3 °C at 760 mmHg |
Melting Point: | 165-169 °C |
Purity: | 95 % |
Density: | 1.44 g/cm3 |
Appearance: | White to off-white solid |
MDL: | MFCD00010069 |
LogP: | 0.10380 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113150884-A | Preparation method of fluorine-containing cleaning liquid composition | 20210427 |
CN-113150885-A | Fluorine-containing cleaning liquid composition | 20210427 |
CN-113161234-A | Application of fluorine-containing cleaning liquid composition | 20210427 |
CN-113186043-A | Fluorine-containing cleaning liquid composition and application thereof | 20210427 |
CN-113186044-A | Preparation method of fluorine-containing cleaning liquid composition | 20210427 |
PMID | Publication Date | Title | Journal |
20353251 | 20100422 | Raman characterization of monolayers formed from mixtures of sodium 2-mercaptoethanesulfonate and various aromatic mercapto-derivative bases | The journal of physical chemistry. B |
18781710 | 20081002 | Influence of the solvent description on the predicted mechanism of SN2 reactions | The journal of physical chemistry. B |
18337107 | 20080415 | Synthesis and antioxidant properties of novel N-methyl-1,3,4-thiadiazol-2-amine and 4-methyl-2H-1,2,4-triazole-3(4H)-thione derivatives of benzimidazole class | Bioorganic & medicinal chemistry |
15081345 | 20040401 | Synthesis and antimycobacterial activity of 1,2,4-triazole 3-benzylsulfanyl derivatives | Farmaco (Societa chimica italiana : 1989) |
Complexity: | 119 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 115.02041835 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 115.02041835 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 59.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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