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139035-72-6 | 1,4-Benzenediol, 2-(1,1-dimethylethyl)-5-(methylthio)-
CAS No: 139035-72-6 Catalog No: AG001A27 MDL No:
Product Description
Catalog Number:
AG001A27
Chemical Name:
1,4-Benzenediol, 2-(1,1-dimethylethyl)-5-(methylthio)-
CAS Number:
139035-72-6
Molecular Formula:
C11H16O2S
Molecular Weight:
212.3085
IUPAC Name:
2-tert-butyl-5-methylsulfanylbenzene-1,4-diol
InChI:
InChI=1S/C11H16O2S/c1-11(2,3)7-5-9(13)10(14-4)6-8(7)12/h5-6,12-13H,1-4H3
InChI Key:
SFQFGFCMZLNHNR-UHFFFAOYSA-N
SMILES:
CSc1cc(O)c(cc1O)C(C)(C)C
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.087g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
212.307g/mol
Monoisotopic Mass:
212.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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