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136995-80-7 | 1H-Imidazole, 2-[(3-chloropropyl)thio]-1-methyl-
CAS No: 136995-80-7 Catalog No: AG0012NL MDL No:
Product Description
Catalog Number:
AG0012NL
Chemical Name:
1H-Imidazole, 2-[(3-chloropropyl)thio]-1-methyl-
CAS Number:
136995-80-7
Molecular Formula:
C7H11ClN2S
Molecular Weight:
190.6936
IUPAC Name:
2-(3-chloropropylsulfanyl)-1-methylimidazole
InChI:
InChI=1S/C7H11ClN2S/c1-10-5-4-9-7(10)11-6-2-3-8/h4-5H,2-3,6H2,1H3
InChI Key:
AKMNMCHDMVDOES-UHFFFAOYSA-N
SMILES:
ClCCCSc1nccn1C
Properties
Complexity:
113
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.033g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.689g/mol
Monoisotopic Mass:
190.033g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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