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Home > Imidazoles > 1155908-51-2
1155908-51-2 | 2-methyl-4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]aniline
CAS No: 1155908-51-2 Catalog No: AG01A95A MDL No:MFCD12169265
Product Description
Catalog Number:
AG01A95A
Chemical Name:
2-methyl-4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]aniline
CAS Number:
1155908-51-2
Molecular Formula:
C11H13N3S
Molecular Weight:
219.3060
MDL Number:
MFCD12169265
IUPAC Name:
2-methyl-4-(1-methylimidazol-2-yl)sulfanylaniline
InChI:
InChI=1S/C11H13N3S/c1-8-7-9(3-4-10(8)12)15-11-13-5-6-14(11)2/h3-7H,12H2,1-2H3
InChI Key:
XPTRZWPIORYHEL-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1C)Sc1nccn1C
Properties
Complexity:
212
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:
1
Isotope Atom Count:
0
Molecular Weight:
219.306g/mol
Monoisotopic Mass:
219.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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