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91997-95-4 | 3-Pentanone, 1,5-bis(cyclohexylthio)-2,4-bis[(cyclohexylthio)methyl]-
CAS No: 91997-95-4 Catalog No: AG006GC9 MDL No:
Product Description
Catalog Number:
AG006GC9
Chemical Name:
3-Pentanone, 1,5-bis(cyclohexylthio)-2,4-bis[(cyclohexylthio)methyl]-
CAS Number:
91997-95-4
Molecular Formula:
C31H54OS4
Molecular Weight:
571.0199
IUPAC Name:
1,5-bis(cyclohexylsulfanyl)-2,4-bis(cyclohexylsulfanylmethyl)pentan-3-one
InChI:
InChI=1S/C31H54OS4/c32-31(25(21-33-27-13-5-1-6-14-27)22-34-28-15-7-2-8-16-28)26(23-35-29-17-9-3-10-18-29)24-36-30-19-11-4-12-20-30/h25-30H,1-24H2
InChI Key:
HSWGNBNERDTNRZ-UHFFFAOYSA-N
SMILES:
O=C(C(CSC1CCCCC1)CSC1CCCCC1)C(CSC1CCCCC1)CSC1CCCCC1
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
570.306g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
571.012g/mol
Monoisotopic Mass:
570.306g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.7
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