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15560-98-2 | Benzene, 1-methyl-2-[(1-methylethyl)thio]-
CAS No: 15560-98-2 Catalog No: AG001O15 MDL No:
Product Description
Catalog Number:
AG001O15
Chemical Name:
Benzene, 1-methyl-2-[(1-methylethyl)thio]-
CAS Number:
15560-98-2
Molecular Formula:
C10H14S
Molecular Weight:
166.2832
IUPAC Name:
1-methyl-2-propan-2-ylsulfanylbenzene
InChI:
InChI=1S/C10H14S/c1-8(2)11-10-7-5-4-6-9(10)3/h4-8H,1-3H3
InChI Key:
GWAFSXIHXFHSRZ-UHFFFAOYSA-N
SMILES:
CC(Sc1ccccc1C)C
Properties
Complexity:
109
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.082g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.282g/mol
Monoisotopic Mass:
166.082g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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