(2S)-3-[(S)-(4-methylphenyl)sulfinyl]but-3-en-2-ol

C11H14O2S — CID 11009200

IUPAC(2S)-3-[(S)-(4-methylphenyl)sulfinyl]but-3-en-2-ol
SMILESC=C([C@H](C)O)[S@@](=O)c1ccc(C)cc1
InChIInChI=1S/C11H14O2S/c1-8-4-6-11(7-5-8)14(13)10(3)9(2)12/h4-7,9,12H,3H2,1-2H3/t9-,14+/m0/s1
InChIKeyGGAXHHAZXAANRJ-LKFCYVNXSA-N
MW210.30 g/mol
LogP2.00
Rot. Bonds3

About (2S)-3-[(S)-(4-methylphenyl)sulfinyl]but-3-en-2-ol

(2S)-3-[(S)-(4-methylphenyl)sulfinyl]but-3-en-2-ol (PubChem CID 11009200) has the molecular formula C11H14O2S and a molecular weight of 210.30 g/mol. Its IUPAC name is (2S)-3-[(S)-(4-methylphenyl)sulfinyl]but-3-en-2-ol.

Molecular Properties

Compound Name(2S)-3-[(S)-(4-methylphenyl)sulfinyl]but-3-en-2-ol
PubChem CID11009200
Molecular FormulaC11H14O2S
Molecular Weight210.30 g/mol
Exact Mass210.07
IUPAC Name(2S)-3-[(S)-(4-methylphenyl)sulfinyl]but-3-en-2-ol
SMILESC=C([C@H](C)O)[S@@](=O)c1ccc(C)cc1
InChIInChI=1S/C11H14O2S/c1-8-4-6-11(7-5-8)14(13)10(3)9(2)12/h4-7,9,12H,3H2,1-2H3/t9-,14+/m0/s1
InChIKeyGGAXHHAZXAANRJ-LKFCYVNXSA-N
XLogP2.00
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Methanol, 1-[(4-methylphenyl)sulfonyl]-
CID 75131
Ethanol, 2-[(4-methylphenyl)sulfonyl]-
CID 89682
Ethanol, 2-[(4-methylphenyl)thio]-
CID 83313
3-(4-Methylbenzene-1-sulfonyl)propane-1,2-diol
CID 115623
(S)-3-Butene-1,2-diol-1-(p-toluenesulfonate)
CID 7015761
4-[(4-Methylphenyl)sulfonyl]tetrahydro-3-thiopheneol 1,1-dioxide
CID 2829781
(E)-1-(p-Tolylsulfonyl)-1-propen-3-ol
CID 1735958
1,2-Propanediol, 3-(p-tolylthio)-
CID 115625
(R)-3-Butene-1,2-diol-1-(p-toluenesulfonate)
CID 2735056
1,1,1-Trifluoro-4-(4-methylphenyl)sulfonylpent-4-en-2-ol
CID 155931068
1-(Tosyloxy)-2-propanol
CID 10998810
2-Methyl-3-(4-methylphenyl)sulfonylpropan-1-ol
CID 14640298

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(S)-(4-methylphenyl)sulfinyl]but-3-en-2-ol?
The IUPAC name of (2S)-3-[(S)-(4-methylphenyl)sulfinyl]but-3-en-2-ol (CID 11009200) is (2S)-3-[(S)-(4-methylphenyl)sulfinyl]but-3-en-2-ol.
What is the SMILES notation for (2S)-3-[(S)-(4-methylphenyl)sulfinyl]but-3-en-2-ol?
The canonical SMILES for (2S)-3-[(S)-(4-methylphenyl)sulfinyl]but-3-en-2-ol is C=C([C@H](C)O)[S@@](=O)c1ccc(C)cc1.
What is the InChIKey of (2S)-3-[(S)-(4-methylphenyl)sulfinyl]but-3-en-2-ol?
The InChIKey is GGAXHHAZXAANRJ-LKFCYVNXSA-N. The full InChI is InChI=1S/C11H14O2S/c1-8-4-6-11(7-5-8)14(13)10(3)9(2)12/h4-7,9,12H,3H2,1-2H3/t9-,14+/m0/s1.
What are the key properties of (2S)-3-[(S)-(4-methylphenyl)sulfinyl]but-3-en-2-ol?
(2S)-3-[(S)-(4-methylphenyl)sulfinyl]but-3-en-2-ol has a molecular weight of 210.30 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[(S)-(4-methylphenyl)sulfinyl]but-3-en-2-ol is sourced from PubChem (CID 11009200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).