3-(Butylthio)-5-propyl-4H-1,2,4-triazol-4-amine - CAS 449746-07-0
Catalog: |
BB042709 |
Product Name: |
3-(Butylthio)-5-propyl-4H-1,2,4-triazol-4-amine |
CAS: |
449746-07-0 |
Synonyms: |
3-Butylsulfanyl-5-propyl-[1,2,4]triazol-4-ylamine |
IUPAC Name: | 3-butylsulfanyl-5-propyl-1,2,4-triazol-4-amine |
Description: | 3-(Butylthio)-5-propyl-4H-1,2,4-triazol-4-amine (CAS# 449746-07-0 ) is a useful research chemical. |
Molecular Weight: | 214.33 |
Molecular Formula: | C9H18N4S |
Canonical SMILES: | CCCCSC1=NN=C(N1N)CCC |
InChI: | InChI=1S/C9H18N4S/c1-3-5-7-14-9-12-11-8(6-4-2)13(9)10/h3-7,10H2,1-2H3 |
InChI Key: | OOXADRGDHUIURY-UHFFFAOYSA-N |
Complexity: | 156 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.12521776 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.12521776 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 82 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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