1-(3-chlorothiophen-2-yl)-2-methylsulfonylpropan-1-ol

C8H11ClO3S2 — CID 104521238

IUPAC1-(3-chlorothiophen-2-yl)-2-methylsulfonylpropan-1-ol
SMILESCC(C(O)c1sccc1Cl)S(C)(=O)=O
InChIInChI=1S/C8H11ClO3S2/c1-5(14(2,11)12)7(10)8-6(9)3-4-13-8/h3-5,7,10H,1-2H3
InChIKeyOGWLJSCRHQFLHY-UHFFFAOYSA-N
MW254.76 g/mol
LogP1.87
Rot. Bonds3

About 1-(3-chlorothiophen-2-yl)-2-methylsulfonylpropan-1-ol

1-(3-chlorothiophen-2-yl)-2-methylsulfonylpropan-1-ol (PubChem CID 104521238) has the molecular formula C8H11ClO3S2 and a molecular weight of 254.76 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-2-methylsulfonylpropan-1-ol.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-2-methylsulfonylpropan-1-ol
PubChem CID104521238
Molecular FormulaC8H11ClO3S2
Molecular Weight254.76 g/mol
Exact Mass253.98
IUPAC Name1-(3-chlorothiophen-2-yl)-2-methylsulfonylpropan-1-ol
SMILESCC(C(O)c1sccc1Cl)S(C)(=O)=O
InChIInChI=1S/C8H11ClO3S2/c1-5(14(2,11)12)7(10)8-6(9)3-4-13-8/h3-5,7,10H,1-2H3
InChIKeyOGWLJSCRHQFLHY-UHFFFAOYSA-N
XLogP1.87
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-2-methylsulfonylpropan-1-ol?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-2-methylsulfonylpropan-1-ol (CID 104521238) is 1-(3-chlorothiophen-2-yl)-2-methylsulfonylpropan-1-ol.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-2-methylsulfonylpropan-1-ol?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-2-methylsulfonylpropan-1-ol is CC(C(O)c1sccc1Cl)S(C)(=O)=O.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-2-methylsulfonylpropan-1-ol?
The InChIKey is OGWLJSCRHQFLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClO3S2/c1-5(14(2,11)12)7(10)8-6(9)3-4-13-8/h3-5,7,10H,1-2H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-2-methylsulfonylpropan-1-ol?
1-(3-chlorothiophen-2-yl)-2-methylsulfonylpropan-1-ol has a molecular weight of 254.76 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-2-methylsulfonylpropan-1-ol is sourced from PubChem (CID 104521238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).