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133328-77-5 | 2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]aniline
CAS No: 133328-77-5 Catalog No: AG01A83G MDL No:MFCD08689821
Product Description
Catalog Number:
AG01A83G
Chemical Name:
2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]aniline
CAS Number:
133328-77-5
Molecular Formula:
C10H11N3S
Molecular Weight:
205.2794
MDL Number:
MFCD08689821
IUPAC Name:
2-(1-methylimidazol-2-yl)sulfanylaniline
InChI:
InChI=1S/C10H11N3S/c1-13-7-6-12-10(13)14-9-5-3-2-4-8(9)11/h2-7H,11H2,1H3
InChI Key:
VQHURTPGQMKPMZ-UHFFFAOYSA-N
SMILES:
Nc1ccccc1Sc1nccn1C
Properties
Complexity:
188
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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