3-(Butylthio)-5-(difluoromethyl)-4H-1,2,4-triazol-4-amine hydrochloride - CAS 1432026-63-5
Catalog: |
BB052227 |
Product Name: |
3-(Butylthio)-5-(difluoromethyl)-4H-1,2,4-triazol-4-amine hydrochloride |
CAS: |
1432026-63-5 |
Synonyms: |
3-(Butylthio)-5-(difluoromethyl)-4H-1,2,4-triazol-4-aminehydrochloride |
IUPAC Name: | 3-butylsulfanyl-5-(difluoromethyl)-1,2,4-triazol-4-amine;hydrochloride |
Molecular Weight: | 258.72 |
Molecular Formula: | C7H13ClF2N4S |
Canonical SMILES: | CCCCSC1=NN=C(N1N)C(F)F.Cl |
InChI: | InChI=1S/C7H12F2N4S.ClH/c1-2-3-4-14-7-12-11-6(5(8)9)13(7)10;/h5H,2-4,10H2,1H3;1H |
InChI Key: | NTZXOGIZQQKJII-UHFFFAOYSA-N |
Complexity: | 172 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 258.0517516 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 258.0517516 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 82 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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