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63348-55-0 | 2-(benzylthio)-1-methyl-1H-imidazole
CAS No: 63348-55-0 Catalog No: AG01DE3Q MDL No:MFCD02020574
Product Description
Catalog Number:
AG01DE3Q
Chemical Name:
2-(benzylthio)-1-methyl-1H-imidazole
CAS Number:
63348-55-0
Molecular Formula:
C11H12N2S
Molecular Weight:
204.2914
MDL Number:
MFCD02020574
IUPAC Name:
2-benzylsulfanyl-1-methylimidazole
InChI:
InChI=1S/C11H12N2S/c1-13-8-7-12-11(13)14-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChI Key:
CXQXVFWIVHBKPJ-UHFFFAOYSA-N
SMILES:
Cn1ccnc1SCc1ccccc1
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.072g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.291g/mol
Monoisotopic Mass:
204.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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