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84321-31-3 | Benzene, 1-methyl-3-[(1-methylethyl)sulfinyl]-
CAS No: 84321-31-3 Catalog No: AG004T8Z MDL No:
Product Description
Catalog Number:
AG004T8Z
Chemical Name:
Benzene, 1-methyl-3-[(1-methylethyl)sulfinyl]-
CAS Number:
84321-31-3
Molecular Formula:
C10H14OS
Molecular Weight:
182.2826
IUPAC Name:
1-methyl-3-propan-2-ylsulfinylbenzene
InChI:
InChI=1S/C10H14OS/c1-8(2)12(11)10-6-4-5-9(3)7-10/h4-8H,1-3H3
InChI Key:
HXFHXQKIPWQSNJ-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)S(=O)C(C)C
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.077g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.281g/mol
Monoisotopic Mass:
182.077g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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