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2943-20-6 | Disulfide, 1,1-dimethylethyl phenyl (9CI)
CAS No: 2943-20-6 Catalog No: AG002YDF MDL No:
Product Description
Catalog Number:
AG002YDF
Chemical Name:
Disulfide, 1,1-dimethylethyl phenyl (9CI)
CAS Number:
2943-20-6
Molecular Formula:
C10H14S2
Molecular Weight:
198.3482
IUPAC Name:
(tert-butyldisulfanyl)benzene
InChI:
InChI=1S/C10H14S2/c1-10(2,3)12-11-9-7-5-4-6-8-9/h4-8H,1-3H3
InChI Key:
KGYZTVHXXZFMPA-UHFFFAOYSA-N
SMILES:
CC(SSc1ccccc1)(C)C
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.054g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.342g/mol
Monoisotopic Mass:
198.054g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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