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5425-44-5,MFCD00006656
Catalog No.:AA003HS2
5425-44-5 | 2-Phenyl-1,3-dithiane
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5g
>98.0%(GC)
1 week  
$122.00
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25g
>98.0%(GC)
1 week  
$263.00
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Technical Information
Catalog Number:
AA003HS2
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
Computed 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  

Synonyms
 
2-Phenyl-1,3-dithiane 
5425-44-5 
53TCS8B01P 
GXKPARDRBFURON-UHFFFAOYSA-N 
NSC12763 
zlchem 909 
phenyl-1,3-dithian 
2-phenyl-1,3-dithian 
AC1L2IKG 
ACMC-1AUQ7 
2-phenyl-1, 3-dithiane 
SCHEMBL24705 
1,3-Dithiane, 2-phenyl- 
2-Phenyl-[1,3]-dithiane 
5-19-01-00462 (Beilstein Handbook Reference) 
CTK1H2197 
DTXSID60202604 
ZLD0371 
2-Phenyl-1,3-dithiane, 97% 
ZINC393243 
ACT05855 
1,3-Dithiane, 2-phenyl- (9CI) 
MFCD00006656 
m-DITHIANE, 2-PHENYL- 
NSC-12763 
SBB059731 
AKOS024319038 
CS-W015694 
FCH1118831 
MCULE-3189209304 
TRA0076550 
VZ25145 
AK307398 
CC-11794 
2-Phenyl-m-dithiane 
LS-63128 
DB-021487 
TC-170339 
FT-0613303 
ST50409169 
10.14272/GXKPARDRBFURON-UHFFFAOYSA-N 
A830068 
C-08996 
doi:10.14272/GXKPARDRBFURON-UHFFFAOYSA-N 
S14-1139 
EINECS 226-568-1 
InChI=1/C10H12S2/c1-2-5-9(6-3-1)10-11-7-4-8-12-10/h1-3,5-6,10H,4,7-8H 
1, 2-phenyl- 
C10H12S2 
CID21547 
C10-H12-S2 
NSC 12763 
2-phenyl-[1,3]dithiane 
BRN 0130879 
UNII-53TCS8B01P 
Literature

Title: Cysteinyl peptide capture for shotgun proteomics: global assessment of chemoselective fractionation.

Journal: Journal of proteome research 20101001

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