2-butylsulfinylphenol

C10H14O2S — CID 588406

IUPAC2-butylsulfinylphenol
SMILESCCCCS(=O)c1ccccc1O
InChIInChI=1S/C10H14O2S/c1-2-3-8-13(12)10-7-5-4-6-9(10)11/h4-7,11H,2-3,8H2,1H3
InChIKeyCUSDNDXVBDKEDY-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.30
Rot. Bonds4

About 2-butylsulfinylphenol

2-butylsulfinylphenol (PubChem CID 588406) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-butylsulfinylphenol.

Molecular Properties

Compound Name2-butylsulfinylphenol
PubChem CID588406
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Name2-butylsulfinylphenol
SMILESCCCCS(=O)c1ccccc1O
InChIInChI=1S/C10H14O2S/c1-2-3-8-13(12)10-7-5-4-6-9(10)11/h4-7,11H,2-3,8H2,1H3
InChIKeyCUSDNDXVBDKEDY-UHFFFAOYSA-N
XLogP2.30
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(S)-butylsulfinyl]benzoic acid
CID 11009661
3-(2-hydroxyphenyl)sulfinylpropanoic acid
CID 84680335
bis[4-(2-hydroxyphenyl)sulfinylbutoxy]-oxophosphanium
CID 57023847
1-fluoro-2-propylsulfinylbenzene
CID 64717305
3-hexylsulfinylnaphthalen-1-ol
CID 91900118
2-[(E)-but-2-enyl]sulfinylphenol
CID 5364817
2-[(S)-propan-2-ylsulfinyl]phenol
CID 92860046
octadecylsulfinylbenzene
CID 10937741
2-methyl-6-octylsulfinylaniline
CID 81187755
3-[(S)-[2-(dimethylamino)phenyl]sulfinyl]propan-1-ol
CID 11746361
1-bromo-4-[(S)-butylsulfinyl]benzene
CID 124588146
3-butylsulfinyl-4-fluorobenzoic acid
CID 80558161

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfinylphenol?
The IUPAC name of 2-butylsulfinylphenol (CID 588406) is 2-butylsulfinylphenol.
What is the SMILES notation for 2-butylsulfinylphenol?
The canonical SMILES for 2-butylsulfinylphenol is CCCCS(=O)c1ccccc1O.
What is the InChIKey of 2-butylsulfinylphenol?
The InChIKey is CUSDNDXVBDKEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S/c1-2-3-8-13(12)10-7-5-4-6-9(10)11/h4-7,11H,2-3,8H2,1H3.
What are the key properties of 2-butylsulfinylphenol?
2-butylsulfinylphenol has a molecular weight of 198.29 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfinylphenol is sourced from PubChem (CID 588406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).