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139774-31-5 | Propane, 2-[[2-[(2-chloroethyl)thio]ethyl]thio]-2-methyl-
CAS No: 139774-31-5 Catalog No: AG001BPH MDL No:
Product Description
Catalog Number:
AG001BPH
Chemical Name:
Propane, 2-[[2-[(2-chloroethyl)thio]ethyl]thio]-2-methyl-
CAS Number:
139774-31-5
Molecular Formula:
C8H17ClS2
Molecular Weight:
212.8036
IUPAC Name:
2-[2-(2-chloroethylsulfanyl)ethylsulfanyl]-2-methylpropane
InChI:
InChI=1S/C8H17ClS2/c1-8(2,3)11-7-6-10-5-4-9/h4-7H2,1-3H3
InChI Key:
HJGIQYYHRAEJJY-UHFFFAOYSA-N
SMILES:
ClCCSCCSC(C)(C)C
Properties
Complexity:
88.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.046g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.794g/mol
Monoisotopic Mass:
212.046g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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