4-Amino-5-[chloro(difluoro)methyl]-4H-1,2,4-triazole-3-thiol - CAS 869943-14-6
Catalog: |
BB045967 |
Product Name: |
4-Amino-5-[chloro(difluoro)methyl]-4H-1,2,4-triazole-3-thiol |
CAS: |
869943-14-6 |
Synonyms: |
4-amino-5-(chlorodifluoromethyl)-4h-1,2,4-triazole-3-thiol; 4-Amino-5-(chloro-difluoro-methyl)-4H-[1,2,4]triazole-3-thiol; 4-amino-5-(chlorodifluoromethyl)-1,2,4-triazole-3-thiol |
IUPAC Name: | 4-amino-3-[chloro(difluoro)methyl]-1H-1,2,4-triazole-5-thione |
Description: | 4-Amino-5-[chloro(difluoro)methyl]-4H-1,2,4-triazole-3-thiol (CAS# 869943-14-6 ) is a useful research chemical. |
Molecular Weight: | 200.6 |
Molecular Formula: | C3H3ClF2N4S |
Canonical SMILES: | C1(=NNC(=S)N1N)C(F)(F)Cl |
InChI: | InChI=1S/C3H3ClF2N4S/c4-3(5,6)1-8-9-2(11)10(1)7/h7H2,(H,9,11) |
InChI Key: | ROHVAOYJHGAGSU-UHFFFAOYSA-N |
Boiling Point: | 178.1±50.0 °C at 760 mmHg |
Density: | 2.0±0.1 g/cm3 |
Complexity: | 229 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 199.9735013 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 199.9735013 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 85.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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