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1105188-70-2 | 1-Benzyl-5-(4-methylphenyl)-1H-imidazole-2-thiol
CAS No: 1105188-70-2 Catalog No: AG01ARW3 MDL No:MFCD11986813
Product Description
Catalog Number:
AG01ARW3
Chemical Name:
1-Benzyl-5-(4-methylphenyl)-1H-imidazole-2-thiol
CAS Number:
1105188-70-2
Molecular Formula:
C17H16N2S
Molecular Weight:
280.3873
MDL Number:
MFCD11986813
IUPAC Name:
3-benzyl-4-(4-methylphenyl)-1H-imidazole-2-thione
InChI:
InChI=1S/C17H16N2S/c1-13-7-9-15(10-8-13)16-11-18-17(20)19(16)12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,18,20)
InChI Key:
ZUQQPRRDRCWTJY-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1cnc(n1Cc1ccccc1)S
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.103g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.389g/mol
Monoisotopic Mass:
280.103g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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