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5425-44-5 | 2-Phenyl-1,3-dithiane
CAS No: 5425-44-5 Catalog No: AG003HUU MDL No:MFCD00006656
Product Description
Catalog Number:
AG003HUU
Chemical Name:
2-Phenyl-1,3-dithiane
CAS Number:
5425-44-5
Molecular Formula:
C10H12S2
Molecular Weight:
196.3323
MDL Number:
MFCD00006656
IUPAC Name:
2-phenyl-1,3-dithiane
InChI:
InChI=1S/C10H12S2/c1-2-5-9(6-3-1)10-11-7-4-8-12-10/h1-3,5-6,10H,4,7-8H2
InChI Key:
GXKPARDRBFURON-UHFFFAOYSA-N
SMILES:
C1CSC(SC1)c1ccccc1
EC Number:
226-568-1
UNII:
53TCS8B01P
NSC Number:
12763
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.038g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.326g/mol
Monoisotopic Mass:
196.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Cysteinyl peptide capture for shotgun proteomics: global assessment of chemoselective fractionation. | Journal of proteome research 20101001 |
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