2-methylsulfonyl-1-(1,2-thiazol-3-yl)ethanol

C6H9NO3S2 — CID 130752198

IUPAC2-methylsulfonyl-1-(1,2-thiazol-3-yl)ethanol
SMILESCS(=O)(=O)CC(O)c1ccsn1
InChIInChI=1S/C6H9NO3S2/c1-12(9,10)4-6(8)5-2-3-11-7-5/h2-3,6,8H,4H2,1H3
InChIKeyQIMXUOVHZSQDQR-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.22
Rot. Bonds3

About 2-methylsulfonyl-1-(1,2-thiazol-3-yl)ethanol

2-methylsulfonyl-1-(1,2-thiazol-3-yl)ethanol (PubChem CID 130752198) has the molecular formula C6H9NO3S2 and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-methylsulfonyl-1-(1,2-thiazol-3-yl)ethanol.

Molecular Properties

Compound Name2-methylsulfonyl-1-(1,2-thiazol-3-yl)ethanol
PubChem CID130752198
Molecular FormulaC6H9NO3S2
Molecular Weight207.28 g/mol
Exact Mass207.00
IUPAC Name2-methylsulfonyl-1-(1,2-thiazol-3-yl)ethanol
SMILESCS(=O)(=O)CC(O)c1ccsn1
InChIInChI=1S/C6H9NO3S2/c1-12(9,10)4-6(8)5-2-3-11-7-5/h2-3,6,8H,4H2,1H3
InChIKeyQIMXUOVHZSQDQR-UHFFFAOYSA-N
XLogP0.22
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,2-thiazol-3-yl)propane-1,2-diol
CID 130604797
1-(6-methyl-3-pyridinyl)-2-methylsulfonylethanol
CID 115609857
1-[4-(difluoromethoxy)phenyl]-2-methylsulfonylethanol
CID 166194503
3-methylsulfonyl-1,2-thiazole
CID 141234539
3-(1-chloroethyl)-1,2-thiazole
CID 130920926
1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethanol
CID 146403100
1-(2-ethylpyrazol-3-yl)-2-methylsulfonylethanol
CID 115622254
1-(3-fluoro-4-pyridinyl)-2-methylsulfonylethanol
CID 115834015
3-(1-hydroxy-2-methylsulfonylethyl)phenol
CID 115029574
1-(3,4-diethylphenyl)-2-methylsulfonylethanol
CID 113319164
1-(2,3-dimethylphenyl)-2-methylsulfonylethanol
CID 115601467
3-(1,2-thiazol-3-yl)butan-1-amine
CID 126985785

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-1-(1,2-thiazol-3-yl)ethanol?
The IUPAC name of 2-methylsulfonyl-1-(1,2-thiazol-3-yl)ethanol (CID 130752198) is 2-methylsulfonyl-1-(1,2-thiazol-3-yl)ethanol.
What is the SMILES notation for 2-methylsulfonyl-1-(1,2-thiazol-3-yl)ethanol?
The canonical SMILES for 2-methylsulfonyl-1-(1,2-thiazol-3-yl)ethanol is CS(=O)(=O)CC(O)c1ccsn1.
What is the InChIKey of 2-methylsulfonyl-1-(1,2-thiazol-3-yl)ethanol?
The InChIKey is QIMXUOVHZSQDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3S2/c1-12(9,10)4-6(8)5-2-3-11-7-5/h2-3,6,8H,4H2,1H3.
What are the key properties of 2-methylsulfonyl-1-(1,2-thiazol-3-yl)ethanol?
2-methylsulfonyl-1-(1,2-thiazol-3-yl)ethanol has a molecular weight of 207.28 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-1-(1,2-thiazol-3-yl)ethanol is sourced from PubChem (CID 130752198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).