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880640-87-9 | Benzene, 1-(1-methylethyl)-2-[(4-methylphenyl)thio]-
CAS No: 880640-87-9 Catalog No: AG004I45 MDL No:
Product Description
Catalog Number:
AG004I45
Chemical Name:
Benzene, 1-(1-methylethyl)-2-[(4-methylphenyl)thio]-
CAS Number:
880640-87-9
Molecular Formula:
C16H18S
Molecular Weight:
242.3791
IUPAC Name:
1-methyl-4-(2-propan-2-ylphenyl)sulfanylbenzene
InChI:
InChI=1S/C16H18S/c1-12(2)15-6-4-5-7-16(15)17-14-10-8-13(3)9-11-14/h4-12H,1-3H3
InChI Key:
ZLNNEZDNLYUUGT-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)Sc1ccccc1C(C)C
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.113g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.38g/mol
Monoisotopic Mass:
242.113g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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