3-Amino-5-methylthio-1H-1,2,4-triazole - CAS 45534-08-5
Catalog: |
BB025922 |
Product Name: |
3-Amino-5-methylthio-1H-1,2,4-triazole |
CAS: |
45534-08-5 |
Synonyms: |
3-methylsulfanyl-1H-1,2,4-triazol-5-amine |
IUPAC Name: | 3-methylsulfanyl-1H-1,2,4-triazol-5-amine |
Description: | 3-Amino-5-methylthio-1H-1,2,4-triazole (CAS# 45534-08-5) is a useful research chemical. |
Molecular Weight: | 130.17 |
Molecular Formula: | C3H6N4S |
Canonical SMILES: | CSC1=NNC(=N1)N |
InChI: | InChI=1S/C3H6N4S/c1-8-3-5-2(4)6-7-3/h1H3,(H3,4,5,6,7) |
InChI Key: | XGWWZKBCQLBJNH-UHFFFAOYSA-N |
Density: | 1.46 g/cm3 |
MDL: | MFCD00005232 |
LogP: | 0.69000 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
RU-2741502-C1 | Method for producing 2-methylthio-6-nitro-1,2-4-triazolo[5,1-c]-1,2,4-triazin-7-one sodium salt dihydrate posessing antiviral activity | 20200904 |
US-2021324525-A1 | Method and composition for etching molybdenum | 20200414 |
WO-2021211708-A1 | Method and composition for etching molybdenum | 20200414 |
WO-2021131691-A1 | Coating material composition, coated metal material, and method for coating metal material | 20191226 |
CN-110950813-A | Purification method of 3-mercapto-1, 2, 4-triazole | 20191127 |
PMID | Publication Date | Title | Journal |
21578280 | 20091010 | Ethyl 7-chloro-methyl-5-(2-chloro-phen-yl)-7-hydr-oxy-2-methyl-sulfanyl-4,5,6,7-tetra-hydro-1,2,4-triazolo[1,5-a]pyrimidine-6-carboxyl-ate | Acta crystallographica. Section E, Structure reports online |
21200920 | 20071206 | Ethyl 5-chloro-methyl-2-methyl-sulfanyl-7-phenyl-4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine-6-carboxyl-ate | Acta crystallographica. Section E, Structure reports online |
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: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 130.03131738 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 92.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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