2-methylsulfonyl-1-thiophen-2-ylpropan-1-ol

C8H12O3S2 — CID 104521074

IUPAC2-methylsulfonyl-1-thiophen-2-ylpropan-1-ol
SMILESCC(C(O)c1cccs1)S(C)(=O)=O
InChIInChI=1S/C8H12O3S2/c1-6(13(2,10)11)8(9)7-4-3-5-12-7/h3-6,8-9H,1-2H3
InChIKeyHLOPSHWSLNMTKD-UHFFFAOYSA-N
MW220.31 g/mol
LogP1.21
Rot. Bonds3

About 2-methylsulfonyl-1-thiophen-2-ylpropan-1-ol

2-methylsulfonyl-1-thiophen-2-ylpropan-1-ol (PubChem CID 104521074) has the molecular formula C8H12O3S2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-methylsulfonyl-1-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name2-methylsulfonyl-1-thiophen-2-ylpropan-1-ol
PubChem CID104521074
Molecular FormulaC8H12O3S2
Molecular Weight220.31 g/mol
Exact Mass220.02
IUPAC Name2-methylsulfonyl-1-thiophen-2-ylpropan-1-ol
SMILESCC(C(O)c1cccs1)S(C)(=O)=O
InChIInChI=1S/C8H12O3S2/c1-6(13(2,10)11)8(9)7-4-3-5-12-7/h3-6,8-9H,1-2H3
InChIKeyHLOPSHWSLNMTKD-UHFFFAOYSA-N
XLogP1.21
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-dithiophen-2-ylethane-1,2-diol
CID 11128014
(1R,2R)-3-methyl-1-thiophen-2-ylbutane-1,2-diol
CID 138661529
2-bromo-1-thiophen-2-ylpropan-1-ol
CID 116863277
1-(2-chlorothiophen-3-yl)-2-methylsulfonylpropan-1-ol
CID 131093260
1-(3-chlorothiophen-2-yl)-2-methylsulfonylpropan-1-ol
CID 104521238
(1R,2S)-2-methyl-1-thiophen-2-ylbut-3-en-1-ol
CID 11651207
2-propan-2-ylthiophene
CID 178128598
3,3-dimethyl-1-thiophen-2-ylbutane-1,2-diol
CID 103457313
2-ethoxy-1-thiophen-2-ylpropan-1-ol
CID 64541559
1-hydroxy-1-thiophen-2-ylpropan-2-one
CID 15048018
1-thiophen-2-ylpropane-1,2,3-triol
CID 59769549
2-propan-2-ylsulfonylthiophene
CID 22953694

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-1-thiophen-2-ylpropan-1-ol?
The IUPAC name of 2-methylsulfonyl-1-thiophen-2-ylpropan-1-ol (CID 104521074) is 2-methylsulfonyl-1-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 2-methylsulfonyl-1-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 2-methylsulfonyl-1-thiophen-2-ylpropan-1-ol is CC(C(O)c1cccs1)S(C)(=O)=O.
What is the InChIKey of 2-methylsulfonyl-1-thiophen-2-ylpropan-1-ol?
The InChIKey is HLOPSHWSLNMTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3S2/c1-6(13(2,10)11)8(9)7-4-3-5-12-7/h3-6,8-9H,1-2H3.
What are the key properties of 2-methylsulfonyl-1-thiophen-2-ylpropan-1-ol?
2-methylsulfonyl-1-thiophen-2-ylpropan-1-ol has a molecular weight of 220.31 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-1-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 104521074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).