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157842-92-7 | 2H-Imidazole-2-thione, 1,3-dihydro-1-(phenylamino)-
CAS No: 157842-92-7 Catalog No: AG001PR7 MDL No:
Product Description
Catalog Number:
AG001PR7
Chemical Name:
2H-Imidazole-2-thione, 1,3-dihydro-1-(phenylamino)-
CAS Number:
157842-92-7
Molecular Formula:
C9H9N3S
Molecular Weight:
191.2529
IUPAC Name:
3-anilino-1H-imidazole-2-thione
InChI:
InChI=1S/C9H9N3S/c13-9-10-6-7-12(9)11-8-4-2-1-3-5-8/h1-7,11H,(H,10,13)
InChI Key:
ZLJNRVFUCFXEFK-UHFFFAOYSA-N
SMILES:
S=c1[nH]ccn1Nc1ccccc1
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.052g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
191.252g/mol
Monoisotopic Mass:
191.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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