2-propan-2-ylsulfanylbenzene-1,4-diol

C9H12O2S — CID 86025548

IUPAC2-propan-2-ylsulfanylbenzene-1,4-diol
SMILESCC(C)Sc1cc(O)ccc1O
InChIInChI=1S/C9H12O2S/c1-6(2)12-9-5-7(10)3-4-8(9)11/h3-6,10-11H,1-2H3
InChIKeyUIPDRSDBBQVZOI-UHFFFAOYSA-N
MW184.26 g/mol
LogP2.60
Rot. Bonds2

About 2-propan-2-ylsulfanylbenzene-1,4-diol

2-propan-2-ylsulfanylbenzene-1,4-diol (PubChem CID 86025548) has the molecular formula C9H12O2S and a molecular weight of 184.26 g/mol. Its IUPAC name is 2-propan-2-ylsulfanylbenzene-1,4-diol.

Molecular Properties

Compound Name2-propan-2-ylsulfanylbenzene-1,4-diol
PubChem CID86025548
Molecular FormulaC9H12O2S
Molecular Weight184.26 g/mol
Exact Mass184.06
IUPAC Name2-propan-2-ylsulfanylbenzene-1,4-diol
SMILESCC(C)Sc1cc(O)ccc1O
InChIInChI=1S/C9H12O2S/c1-6(2)12-9-5-7(10)3-4-8(9)11/h3-6,10-11H,1-2H3
InChIKeyUIPDRSDBBQVZOI-UHFFFAOYSA-N
XLogP2.60
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

ethane;2-propan-2-ylbenzene-1,4-diol
CID 142526046
2-[diamino(chloro)methyl]sulfanylbenzene-1,4-diol
CID 134890728
2-(2-aminophenyl)sulfanylbenzene-1,4-diol
CID 154102561
2-(1-aminopropan-2-yl)benzene-1,4-diol
CID 3028773
2-[(1S)-1-amino-2-methylpropyl]benzene-1,4-diol
CID 55253395
2-(2,5-dihydroxyphenyl)sulfanyl-2-(2,3-dihydroxypropylsulfanyl)acetic acid
CID 87728882
2-[(1R,2S)-1-amino-2-hydroxypropyl]benzene-1,4-diol
CID 130731355
2-[(Z)-3-methylbut-1-enyl]benzene-1,4-diol
CID 145071373
(2,5-dihydroxyphenyl) 3-cyclopentyl-2-methylpropanedithioate
CID 145493651
1,3,6,8-tetrakis(propan-2-ylsulfanyl)pyrene
CID 14534316
2-(1-hydroxy-3-methylbutyl)benzene-1,4-diol
CID 130034047
4-(3-hydroxybutyl)benzene-1,3-diol
CID 71768563

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylsulfanylbenzene-1,4-diol?
The IUPAC name of 2-propan-2-ylsulfanylbenzene-1,4-diol (CID 86025548) is 2-propan-2-ylsulfanylbenzene-1,4-diol.
What is the SMILES notation for 2-propan-2-ylsulfanylbenzene-1,4-diol?
The canonical SMILES for 2-propan-2-ylsulfanylbenzene-1,4-diol is CC(C)Sc1cc(O)ccc1O.
What is the InChIKey of 2-propan-2-ylsulfanylbenzene-1,4-diol?
The InChIKey is UIPDRSDBBQVZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2S/c1-6(2)12-9-5-7(10)3-4-8(9)11/h3-6,10-11H,1-2H3.
What are the key properties of 2-propan-2-ylsulfanylbenzene-1,4-diol?
2-propan-2-ylsulfanylbenzene-1,4-diol has a molecular weight of 184.26 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfanylbenzene-1,4-diol is sourced from PubChem (CID 86025548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).