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35371-03-0 | 4-IODOTHIOANISOLE
CAS No: 35371-03-0 Catalog No: AG00BXQ2 MDL No:MFCD00041454
Product Description
Catalog Number:
AG00BXQ2
Chemical Name:
4-IODOTHIOANISOLE
CAS Number:
35371-03-0
Molecular Formula:
C7H7IS
Molecular Weight:
250.1000
MDL Number:
MFCD00041454
IUPAC Name:
1-iodo-4-methylsulfanylbenzene
InChI:
InChI=1S/C7H7IS/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3
InChI Key:
VGQFOKHFPSTYJY-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)I
Properties
Complexity:
77
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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