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830321-00-1 | Benzene, 1-chloro-2,4-bis[(1E)-1-octenylthio]-
CAS No: 830321-00-1 Catalog No: AG004YBC MDL No:
Product Description
Catalog Number:
AG004YBC
Chemical Name:
Benzene, 1-chloro-2,4-bis[(1E)-1-octenylthio]-
CAS Number:
830321-00-1
Molecular Formula:
C22H33ClS2
Molecular Weight:
397.0804
IUPAC Name:
1-chloro-2,4-bis(oct-1-enylsulfanyl)benzene
InChI:
InChI=1S/C22H33ClS2/c1-3-5-7-9-11-13-17-24-20-15-16-21(23)22(19-20)25-18-14-12-10-8-6-4-2/h13-19H,3-12H2,1-2H3
InChI Key:
GKRPMNORUGNVRD-UHFFFAOYSA-N
SMILES:
CCCCCC/C=C/Sc1ccc(c(c1)S/C=C/CCCCCC)Cl
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.171g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
397.076g/mol
Monoisotopic Mass:
396.171g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
10.2
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