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141454-92-4 | Phenol, 4-mercapto-5-methyl-2-(1,1,3,3-tetramethylbutyl)-
CAS No: 141454-92-4 Catalog No: AG001GFD MDL No:
Product Description
Catalog Number:
AG001GFD
Chemical Name:
Phenol, 4-mercapto-5-methyl-2-(1,1,3,3-tetramethylbutyl)-
CAS Number:
141454-92-4
Molecular Formula:
C15H24OS
Molecular Weight:
252.4155
IUPAC Name:
5-methyl-4-sulfanyl-2-(2,4,4-trimethylpentan-2-yl)phenol
InChI:
InChI=1S/C15H24OS/c1-10-7-12(16)11(8-13(10)17)15(5,6)9-14(2,3)4/h7-8,16-17H,9H2,1-6H3
InChI Key:
MGPDAFGTLDXHIS-UHFFFAOYSA-N
SMILES:
Oc1cc(C)c(cc1C(CC(C)(C)C)(C)C)S
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.155g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
252.416g/mol
Monoisotopic Mass:
252.155g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
21.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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