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Home > Imidazoles > 854764-37-7
854764-37-7 | 4-[(R)-(1-propyl-1H-imidazol-5-yl)methanesulfinyl]aniline
CAS No: 854764-37-7 Catalog No: AG00IL99 MDL No:
Product Description
Catalog Number:
AG00IL99
Chemical Name:
4-[(R)-(1-propyl-1H-imidazol-5-yl)methanesulfinyl]aniline
CAS Number:
854764-37-7
Molecular Formula:
C13H17N3OS
Molecular Weight:
263.3586
IUPAC Name:
4-[(R)-(3-propylimidazol-4-yl)methylsulfinyl]aniline
InChI:
InChI=1S/C13H17N3OS/c1-2-7-16-10-15-8-12(16)9-18(17)13-5-3-11(14)4-6-13/h3-6,8,10H,2,7,9,14H2,1H3/t18-/m1/s1
InChI Key:
QPYRLSBRGMJDHW-GOSISDBHSA-N
SMILES:
CCCn1cncc1C[S@+](c1ccc(cc1)N)[O-]
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
263.109g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.359g/mol
Monoisotopic Mass:
263.109g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
80.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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