Home Nitriles 2-iodo-5-(methylsulfanyl)benzonitrile

2-iodo-5-(methylsulfanyl)benzonitrile

CAS No.:
127049-97-2
Catalog Number:
AG01BHL8
Molecular Formula:
C8H6INS
Molecular Weight:
275.1094
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Product Description
Catalog Number:
AG01BHL8
Chemical Name:
2-iodo-5-(methylsulfanyl)benzonitrile
CAS Number:
127049-97-2
Molecular Formula:
C8H6INS
Molecular Weight:
275.1094
MDL Number:
MFCD22488959
IUPAC Name:
2-iodo-5-methylsulfanylbenzonitrile
InChI:
InChI=1S/C8H6INS/c1-11-7-2-3-8(9)6(4-7)5-10/h2-4H,1H3
InChI Key:
CRFHJIFLIWNVOL-UHFFFAOYSA-N
SMILES:
CSc1ccc(c(c1)C#N)I
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.927g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.107g/mol
Monoisotopic Mass:
274.927g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties