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625-80-9

625-80-9 | 2,2-Thiobispropane

CAS No: 625-80-9 Catalog No: AG0032X3 MDL No:MFCD00008895

Product Description

Catalog Number:
AG0032X3
Chemical Name:
2,2-Thiobispropane
CAS Number:
625-80-9
Molecular Formula:
C6H14S
Molecular Weight:
118.2404
MDL Number:
MFCD00008895
IUPAC Name:
2-propan-2-ylsulfanylpropane
InChI:
InChI=1S/C6H14S/c1-5(2)7-6(3)4/h5-6H,1-4H3
InChI Key:
XYWDPYKBIRQXQS-UHFFFAOYSA-N
SMILES:
CC(SC(C)C)C
EC Number:
210-911-7
NSC Number:
75121

Properties

Complexity:
33.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.082g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
118.238g/mol
Monoisotopic Mass:
118.082g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

Literature

Title Journal
Palladium-catalyzed cross-coupling of polyfluoroarenes with simple arenes. Organic letters 20110121

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