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13222-17-8 | Benzenethiol, 4,4'-(1-methylethylidene)bis-
CAS No: 13222-17-8 Catalog No: AG0010EQ MDL No:
Product Description
Catalog Number:
AG0010EQ
Chemical Name:
Benzenethiol, 4,4'-(1-methylethylidene)bis-
CAS Number:
13222-17-8
Molecular Formula:
C15H16S2
Molecular Weight:
260.4175
IUPAC Name:
4-[2-(4-sulfanylphenyl)propan-2-yl]benzenethiol
InChI:
InChI=1S/C15H16S2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3
InChI Key:
DIFMOXDTKAEVHX-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)S)(c1ccc(cc1)S)C
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
260.413g/mol
Monoisotopic Mass:
260.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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