3-Propyl-5-(propylsulfanyl)-4H-1,2,4-triazol-4-amine - CAS 449746-06-9
Catalog: |
BB042707 |
Product Name: |
3-Propyl-5-(propylsulfanyl)-4H-1,2,4-triazol-4-amine |
CAS: |
449746-06-9 |
Synonyms: |
3-propyl-5-(propylsulfanyl)-4H-1,2,4-triazol-4-amine; 5-propyl-3-propylthio-1,2,4-triazole-4-ylamine |
IUPAC Name: | 3-propyl-5-propylsulfanyl-1,2,4-triazol-4-amine |
Description: | 3-Propyl-5-(propylsulfanyl)-4H-1,2,4-triazol-4-amine (CAS# 449746-06-9 ) is a useful research chemical. |
Molecular Weight: | 200.31 |
Molecular Formula: | C8H16N4S |
Canonical SMILES: | CCCC1=NN=C(N1N)SCCC |
InChI: | InChI=1S/C8H16N4S/c1-3-5-7-10-11-8(12(7)9)13-6-4-2/h3-6,9H2,1-2H3 |
InChI Key: | OUIFMSOQDQJLCY-UHFFFAOYSA-N |
Complexity: | 144 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 200.1095677 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 200.1095677 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 82 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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