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7321-56-4 | Benzene, 1-methyl-2-(methylsulfinyl)-
CAS No: 7321-56-4 Catalog No: AG005FPJ MDL No:
Product Description
Catalog Number:
AG005FPJ
Chemical Name:
Benzene, 1-methyl-2-(methylsulfinyl)-
CAS Number:
7321-56-4
Molecular Formula:
C8H10OS
Molecular Weight:
154.2294
IUPAC Name:
1-methyl-2-methylsulfinylbenzene
InChI:
InChI=1S/C8H10OS/c1-7-5-3-4-6-8(7)10(2)9/h3-6H,1-2H3
InChI Key:
FMFAHVFEPAMZQL-UHFFFAOYSA-N
SMILES:
CS(=O)c1ccccc1C
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.045g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.227g/mol
Monoisotopic Mass:
154.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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