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117760-02-8 | 1-IODO-2-[(METHYLTHIO)METHYL]-BENZENE
CAS No: 117760-02-8 Catalog No: AG01BJR1 MDL No:MFCD27941927
Product Description
Catalog Number:
AG01BJR1
Chemical Name:
1-IODO-2-[(METHYLTHIO)METHYL]-BENZENE
CAS Number:
117760-02-8
Molecular Formula:
C8H9IS
Molecular Weight:
264.1265
MDL Number:
MFCD27941927
IUPAC Name:
1-iodo-2-(methylsulfanylmethyl)benzene
InChI:
InChI=1S/C8H9IS/c1-10-6-7-4-2-3-5-8(7)9/h2-5H,6H2,1H3
InChI Key:
NOPHGRWHUDXDOK-UHFFFAOYSA-N
SMILES:
CSCc1ccccc1I
Properties
Complexity:
95.3
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:
3.3
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