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Home Other Building Blocks 2,4-Bis[(dodecylthio)methyl]-6-methylphenol

2,4-Bis[(dodecylthio)methyl]-6-methylphenol

CAS No.:
110675-26-8
Catalog Number:
AG0039WG
Molecular Formula:
C33H60OS2
Molecular Weight:
536.9589
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Product Description
Catalog Number:
AG0039WG
Chemical Name:
2,4-Bis[(dodecylthio)methyl]-6-methylphenol
CAS Number:
110675-26-8
Molecular Formula:
C33H60OS2
Molecular Weight:
536.9589
MDL Number:
MFCD11973660
IUPAC Name:
2,4-bis(dodecylsulfanylmethyl)-6-methylphenol
InChI:
InChI=1S/C33H60OS2/c1-4-6-8-10-12-14-16-18-20-22-24-35-28-31-26-30(3)33(34)32(27-31)29-36-25-23-21-19-17-15-13-11-9-7-5-2/h26-27,34H,4-25,28-29H2,1-3H3
InChI Key:
VTFXHGBOGGGYDO-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCSCc1cc(CSCCCCCCCCCCCC)c(c(c1)C)O
UNII:
HUC0447MPD
Properties
Complexity:
443  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
536.409g/mol
Formal Charge:
0
Heavy Atom Count:
36  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
536.962g/mol
Monoisotopic Mass:
536.409g/mol
Rotatable Bond Count:
26  
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
14  
Properties