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88722-36-5 | 4H-1,2,4-Triazol-3-amine, 5-(methylthio)-4-(phenylmethyl)-
CAS No: 88722-36-5 Catalog No: AG0046LM MDL No:
Product Description
Catalog Number:
AG0046LM
Chemical Name:
4H-1,2,4-Triazol-3-amine, 5-(methylthio)-4-(phenylmethyl)-
CAS Number:
88722-36-5
Molecular Formula:
C10H12N4S
Molecular Weight:
220.2941
IUPAC Name:
4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-amine
InChI:
InChI=1S/C10H12N4S/c1-15-10-13-12-9(11)14(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,11,12)
InChI Key:
INKJDQIQHAAPSX-UHFFFAOYSA-N
SMILES:
CSc1nnc(n1Cc1ccccc1)N
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.078g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.294g/mol
Monoisotopic Mass:
220.078g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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