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130416-73-8 | Benzene, 1-iodo-3-(methylthio)-
CAS No: 130416-73-8 Catalog No: AG000UE2 MDL No:MFCD08458363
Product Description
Catalog Number:
AG000UE2
Chemical Name:
Benzene, 1-iodo-3-(methylthio)-
CAS Number:
130416-73-8
Molecular Formula:
C7H7IS
Molecular Weight:
250.1000
MDL Number:
MFCD08458363
IUPAC Name:
1-iodo-3-methylsulfanylbenzene
InChI:
InChI=1S/C7H7IS/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3
InChI Key:
YCGZIDJUDNEVQI-UHFFFAOYSA-N
SMILES:
CSc1cccc(c1)I
Properties
Complexity:
85
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.931g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.097g/mol
Monoisotopic Mass:
249.931g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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