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114811-38-0 | Ethane, 1-(2-chloroethoxy)-2-[(2-chloroethyl)thio]-
CAS No: 114811-38-0 Catalog No: AG000FAI MDL No:
Product Description
Catalog Number:
AG000FAI
Chemical Name:
Ethane, 1-(2-chloroethoxy)-2-[(2-chloroethyl)thio]-
CAS Number:
114811-38-0
Molecular Formula:
C6H12Cl2OS
Molecular Weight:
203.1299
IUPAC Name:
1-(2-chloroethoxy)-2-(2-chloroethylsulfanyl)ethane
InChI:
InChI=1S/C6H12Cl2OS/c7-1-3-9-4-6-10-5-2-8/h1-6H2
InChI Key:
YTSIBAYOCLBBIG-UHFFFAOYSA-N
SMILES:
ClCCOCCSCCCl
Properties
Complexity:
63.7
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:
7
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Liquid chromatography-time-of-flight mass spectrometry analysis of 1-(2-chloroethoxy)-2-[(2-chloroethyl)thio] ethane and related compounds: separation of an eleven component mixture. | Journal of chromatography. A 20081114 |
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