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114106-25-1 | Propane, 1,1'-sulfinylbis[3-chloro-
CAS No: 114106-25-1 Catalog No: AG000AKS MDL No:
Product Description
Catalog Number:
AG000AKS
Chemical Name:
Propane, 1,1'-sulfinylbis[3-chloro-
CAS Number:
114106-25-1
Molecular Formula:
C6H12Cl2OS
Molecular Weight:
203.1299
IUPAC Name:
1-chloro-3-(3-chloropropylsulfinyl)propane
InChI:
InChI=1S/C6H12Cl2OS/c7-3-1-5-10(9)6-2-4-8/h1-6H2
InChI Key:
MGFSCCFMWQCKLE-UHFFFAOYSA-N
SMILES:
ClCCCS(=O)CCCCl
Properties
Complexity:
87.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.999g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.121g/mol
Monoisotopic Mass:
201.999g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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