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114108-61-1 | Phenol, 4-(dodecylthio)-2-methyl-
CAS No: 114108-61-1 Catalog No: AG000ALY MDL No:
Product Description
Catalog Number:
AG000ALY
Chemical Name:
Phenol, 4-(dodecylthio)-2-methyl-
CAS Number:
114108-61-1
Molecular Formula:
C19H32OS
Molecular Weight:
308.5218
IUPAC Name:
4-dodecylsulfanyl-2-methylphenol
InChI:
InChI=1S/C19H32OS/c1-3-4-5-6-7-8-9-10-11-12-15-21-18-13-14-19(20)17(2)16-18/h13-14,16,20H,3-12,15H2,1-2H3
InChI Key:
VHJPRIIHYLGAAV-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCSc1ccc(c(c1)C)O
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.217g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
308.524g/mol
Monoisotopic Mass:
308.217g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8
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