2-[(S)-propan-2-ylsulfinyl]phenol

C9H12O2S — CID 92860046

IUPAC2-[(S)-propan-2-ylsulfinyl]phenol
SMILESCC(C)[S@](=O)c1ccccc1O
InChIInChI=1S/C9H12O2S/c1-7(2)12(11)9-6-4-3-5-8(9)10/h3-7,10H,1-2H3/t12-/m0/s1
InChIKeyUXOPTOFBGQWPLX-LBPRGKRZSA-N
MW184.26 g/mol
LogP1.91
Rot. Bonds2

About 2-[(S)-propan-2-ylsulfinyl]phenol

2-[(S)-propan-2-ylsulfinyl]phenol (PubChem CID 92860046) has the molecular formula C9H12O2S and a molecular weight of 184.26 g/mol. Its IUPAC name is 2-[(S)-propan-2-ylsulfinyl]phenol.

Molecular Properties

Compound Name2-[(S)-propan-2-ylsulfinyl]phenol
PubChem CID92860046
Molecular FormulaC9H12O2S
Molecular Weight184.26 g/mol
Exact Mass184.06
IUPAC Name2-[(S)-propan-2-ylsulfinyl]phenol
SMILESCC(C)[S@](=O)c1ccccc1O
InChIInChI=1S/C9H12O2S/c1-7(2)12(11)9-6-4-3-5-8(9)10/h3-7,10H,1-2H3/t12-/m0/s1
InChIKeyUXOPTOFBGQWPLX-LBPRGKRZSA-N
XLogP1.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-propan-2-ylsulfinylbenzaldehyde
CID 59841584
2-[(R)-benzylsulfinyl]phenol
CID 139142856
2-butylsulfinylphenol
CID 588406
2-[(E)-but-2-enyl]sulfinylphenol
CID 5364817
3-(2-hydroxyphenyl)sulfinylpropanoic acid
CID 84680335
benzene-1,2-diol;propan-2-ol
CID 144664669
1-propan-2-ylsulfinylthioxanthen-9-one
CID 174529471
benzene-1,2-disulfinic acid
CID 19813698
2-methyl-1-propan-2-ylsulfinylnaphthalene
CID 15653775
2-(2-fluorophenyl)sulfinylpropan-1-amine
CID 81328823
2-(2-methylphenyl)sulfinylbutan-1-amine
CID 81329169
2-(2-chlorophenyl)sulfinyl-3-methylbutanoic acid
CID 61303125

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-propan-2-ylsulfinyl]phenol?
The IUPAC name of 2-[(S)-propan-2-ylsulfinyl]phenol (CID 92860046) is 2-[(S)-propan-2-ylsulfinyl]phenol.
What is the SMILES notation for 2-[(S)-propan-2-ylsulfinyl]phenol?
The canonical SMILES for 2-[(S)-propan-2-ylsulfinyl]phenol is CC(C)[S@](=O)c1ccccc1O.
What is the InChIKey of 2-[(S)-propan-2-ylsulfinyl]phenol?
The InChIKey is UXOPTOFBGQWPLX-LBPRGKRZSA-N. The full InChI is InChI=1S/C9H12O2S/c1-7(2)12(11)9-6-4-3-5-8(9)10/h3-7,10H,1-2H3/t12-/m0/s1.
What are the key properties of 2-[(S)-propan-2-ylsulfinyl]phenol?
2-[(S)-propan-2-ylsulfinyl]phenol has a molecular weight of 184.26 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-propan-2-ylsulfinyl]phenol is sourced from PubChem (CID 92860046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).