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21056-00-8 | Benzene, [bis(hexylthio)methyl]-
CAS No: 21056-00-8 Catalog No: AG002KVM MDL No:
Product Description
Catalog Number:
AG002KVM
Chemical Name:
Benzene, [bis(hexylthio)methyl]-
CAS Number:
21056-00-8
Molecular Formula:
C19H32S2
Molecular Weight:
324.5874
IUPAC Name:
bis(hexylsulfanyl)methylbenzene
InChI:
InChI=1S/C19H32S2/c1-3-5-7-12-16-20-19(18-14-10-9-11-15-18)21-17-13-8-6-4-2/h9-11,14-15,19H,3-8,12-13,16-17H2,1-2H3
InChI Key:
ZSWUXIBXCRIFDT-UHFFFAOYSA-N
SMILES:
CCCCCCSC(c1ccccc1)SCCCCCC
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.195g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.585g/mol
Monoisotopic Mass:
324.195g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8
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