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88661-23-8 | Benzenemethanol, 2-hydroxy-3-mercapto-5-(1,1,3,3-tetramethylbutyl)-
CAS No: 88661-23-8 Catalog No: AG0048I3 MDL No:
Product Description
Catalog Number:
AG0048I3
Chemical Name:
Benzenemethanol, 2-hydroxy-3-mercapto-5-(1,1,3,3-tetramethylbutyl)-
CAS Number:
88661-23-8
Molecular Formula:
C15H24O2S
Molecular Weight:
268.4149
IUPAC Name:
2-(hydroxymethyl)-6-sulfanyl-4-(2,4,4-trimethylpentan-2-yl)phenol
InChI:
InChI=1S/C15H24O2S/c1-14(2,3)9-15(4,5)11-6-10(8-16)13(17)12(18)7-11/h6-7,16-18H,8-9H2,1-5H3
InChI Key:
YUEBPICYYVUXCB-UHFFFAOYSA-N
SMILES:
OCc1cc(cc(c1O)S)C(CC(C)(C)C)(C)C
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.15g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
268.415g/mol
Monoisotopic Mass:
268.15g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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