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19988-92-2 | 1,4-Benzenediol, 2,3,5,6-tetrakis[(2-chloroethyl)thio]-
CAS No: 19988-92-2 Catalog No: AG002CF9 MDL No:
Product Description
Catalog Number:
AG002CF9
Chemical Name:
1,4-Benzenediol, 2,3,5,6-tetrakis[(2-chloroethyl)thio]-
CAS Number:
19988-92-2
Molecular Formula:
C14H18Cl4O2S4
Molecular Weight:
488.3635
IUPAC Name:
2,3,5,6-tetrakis(2-chloroethylsulfanyl)benzene-1,4-diol
InChI:
InChI=1S/C14H18Cl4O2S4/c15-1-5-21-11-9(19)13(23-7-3-17)14(24-8-4-18)10(20)12(11)22-6-2-16/h19-20H,1-8H2
InChI Key:
WFQJIVWXUCGSLV-UHFFFAOYSA-N
SMILES:
ClCCSc1c(SCCCl)c(O)c(c(c1O)SCCCl)SCCCl
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
487.891g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
488.336g/mol
Monoisotopic Mass:
485.894g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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