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Home > Imidazoles > 220480-63-7
220480-63-7 | 1H-Imidazole, 5-iodo-1-methyl-2-(phenylthio)-
CAS No: 220480-63-7 Catalog No: AG007PZE MDL No:
Product Description
Catalog Number:
AG007PZE
Chemical Name:
1H-Imidazole, 5-iodo-1-methyl-2-(phenylthio)-
CAS Number:
220480-63-7
Molecular Formula:
C10H9IN2S
Molecular Weight:
316.1613
IUPAC Name:
5-iodo-1-methyl-2-phenylsulfanylimidazole
InChI:
InChI=1S/C10H9IN2S/c1-13-9(11)7-12-10(13)14-8-5-3-2-4-6-8/h2-7H,1H3
InChI Key:
MGMWWVVSFVHBAX-UHFFFAOYSA-N
SMILES:
Cn1c(ncc1I)Sc1ccccc1
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.953g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.16g/mol
Monoisotopic Mass:
315.953g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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