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13029-16-8

13029-16-8 | Disulfide, 1,1-dimethylethyl trichloromethyl (9CI)

CAS No: 13029-16-8 Catalog No: AG000U8D MDL No:

Product Description

Catalog Number:
AG000U8D
Chemical Name:
Disulfide, 1,1-dimethylethyl trichloromethyl (9CI)
CAS Number:
13029-16-8
Molecular Formula:
C5H9Cl3S2
Molecular Weight:
239.6140
IUPAC Name:
2-methyl-2-(trichloromethyldisulfanyl)propane
InChI:
InChI=1S/C5H9Cl3S2/c1-4(2,3)9-10-5(6,7)8/h1-3H3
InChI Key:
IBCRJKXZASJVHP-UHFFFAOYSA-N
SMILES:
CC(SSC(Cl)(Cl)Cl)(C)C

Properties

Complexity:
102  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.921g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.597g/mol
Monoisotopic Mass:
237.921g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  

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