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Home > Imidazoles > 1249941-32-9
1249941-32-9 | N-(1H-imidazol-2-ylmethyl)-3-(methylsulfanyl)aniline
CAS No: 1249941-32-9 Catalog No: AG01B001 MDL No:MFCD14693381
Product Description
Catalog Number:
AG01B001
Chemical Name:
N-(1H-imidazol-2-ylmethyl)-3-(methylsulfanyl)aniline
CAS Number:
1249941-32-9
Molecular Formula:
C11H13N3S
Molecular Weight:
219.3060
MDL Number:
MFCD14693381
IUPAC Name:
N-(1H-imidazol-2-ylmethyl)-3-methylsulfanylaniline
InChI:
InChI=1S/C11H13N3S/c1-15-10-4-2-3-9(7-10)14-8-11-12-5-6-13-11/h2-7,14H,8H2,1H3,(H,12,13)
InChI Key:
JMDVHOGITCLIRP-UHFFFAOYSA-N
SMILES:
CSc1cccc(c1)NCc1ncc[nH]1
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.083g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
219.306g/mol
Monoisotopic Mass:
219.083g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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