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117760-03-9 | 1-IODO-4-[(METHYLSULFANYL)METHYL]BENZENE
CAS No: 117760-03-9 Catalog No: AG01BJQL MDL No:MFCD21243729
Product Description
Catalog Number:
AG01BJQL
Chemical Name:
1-IODO-4-[(METHYLSULFANYL)METHYL]BENZENE
CAS Number:
117760-03-9
Molecular Formula:
C8H9IS
Molecular Weight:
264.1265
MDL Number:
MFCD21243729
IUPAC Name:
1-iodo-4-(methylsulfanylmethyl)benzene
InChI:
InChI=1S/C8H9IS/c1-10-6-7-2-4-8(9)5-3-7/h2-5H,6H2,1H3
InChI Key:
NCJDSLMKLDXKOK-UHFFFAOYSA-N
SMILES:
CSCc1ccc(cc1)I
Properties
Complexity:
87.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.947g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.124g/mol
Monoisotopic Mass:
263.947g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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