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114811-35-7 | Butane, 1-chloro-4-[(2-chloroethyl)thio]-
CAS No: 114811-35-7 Catalog No: AG000FAL MDL No:
Product Description
Catalog Number:
AG000FAL
Chemical Name:
Butane, 1-chloro-4-[(2-chloroethyl)thio]-
CAS Number:
114811-35-7
Molecular Formula:
C6H12Cl2S
Molecular Weight:
187.1305
IUPAC Name:
1,3-dichloro-6-(4,6-dichlorohexylsulfanyl)hexane
InChI:
InChI=1S/C12H22Cl4S/c13-7-5-11(15)3-1-9-17-10-2-4-12(16)6-8-14/h11-12H,1-10H2
InChI Key:
XHJQMWYAZHKLIX-UHFFFAOYSA-N
SMILES:
ClCCCCSCCCl
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.017g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.168g/mol
Monoisotopic Mass:
338.02g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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