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3111-77-1 | Benzene, 1,1'-thiobis[3-methyl-
CAS No: 3111-77-1 Catalog No: AG00325H MDL No:
Product Description
Catalog Number:
AG00325H
Chemical Name:
Benzene, 1,1'-thiobis[3-methyl-
CAS Number:
3111-77-1
Molecular Formula:
C14H14S
Molecular Weight:
214.3260
IUPAC Name:
1-methyl-3-(3-methylphenyl)sulfanylbenzene
InChI:
InChI=1S/C14H14S/c1-11-5-3-7-13(9-11)15-14-8-4-6-12(2)10-14/h3-10H,1-2H3
InChI Key:
AWUUCLCBZNMLCD-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)Sc1cccc(c1)C
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.082g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.326g/mol
Monoisotopic Mass:
214.082g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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