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178979-65-2 | 1H-Imidazole-2-methanamine, 1-methyl-4-(1-methylethyl)-5-(phenylthio)-
CAS No: 178979-65-2 Catalog No: AG0026KF MDL No:
Product Description
Catalog Number:
AG0026KF
Chemical Name:
1H-Imidazole-2-methanamine, 1-methyl-4-(1-methylethyl)-5-(phenylthio)-
CAS Number:
178979-65-2
Molecular Formula:
C14H19N3S
Molecular Weight:
261.3858
IUPAC Name:
(1-methyl-5-phenylsulfanyl-4-propan-2-ylimidazol-2-yl)methanamine
InChI:
InChI=1S/C14H19N3S/c1-10(2)13-14(17(3)12(9-15)16-13)18-11-7-5-4-6-8-11/h4-8,10H,9,15H2,1-3H3
InChI Key:
PDTVLVBEWJRMQE-UHFFFAOYSA-N
SMILES:
NCc1nc(c(n1C)Sc1ccccc1)C(C)C
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.13g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.387g/mol
Monoisotopic Mass:
261.13g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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