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Home > Imidazoles > 96591-94-5
96591-94-5 | 4-[(1-METHYL-1H-IMIDAZOL-2-YL)THIO]ANILINE
CAS No: 96591-94-5 Catalog No: AG0066WU MDL No:
Product Description
Catalog Number:
AG0066WU
Chemical Name:
4-[(1-METHYL-1H-IMIDAZOL-2-YL)THIO]ANILINE
CAS Number:
96591-94-5
Molecular Formula:
C10H11N3S
Molecular Weight:
205.2794
IUPAC Name:
4-(1-methylimidazol-2-yl)sulfanylaniline
InChI:
InChI=1S/C10H11N3S/c1-13-7-6-12-10(13)14-9-4-2-8(11)3-5-9/h2-7H,11H2,1H3
InChI Key:
JOFUTRSZJZSTKG-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)Sc1nccn1C
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.067g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.279g/mol
Monoisotopic Mass:
205.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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