1-(2,5-dichlorothiophen-3-yl)-2-(2-methyloxolan-3-yl)sulfinylethanone

C11H12Cl2O3S2 — CID 107764329

IUPAC1-(2,5-dichlorothiophen-3-yl)-2-(2-methyloxolan-3-yl)sulfinylethanone
SMILESCC1OCCC1S(=O)CC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H12Cl2O3S2/c1-6-9(2-3-16-6)18(15)5-8(14)7-4-10(12)17-11(7)13/h4,6,9H,2-3,5H2,1H3
InChIKeyOTTSUUIQLOSNGR-UHFFFAOYSA-N
MW327.25 g/mol
LogP3.16
Rot. Bonds4

About 1-(2,5-dichlorothiophen-3-yl)-2-(2-methyloxolan-3-yl)sulfinylethanone

1-(2,5-dichlorothiophen-3-yl)-2-(2-methyloxolan-3-yl)sulfinylethanone (PubChem CID 107764329) has the molecular formula C11H12Cl2O3S2 and a molecular weight of 327.25 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-2-(2-methyloxolan-3-yl)sulfinylethanone.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-2-(2-methyloxolan-3-yl)sulfinylethanone
PubChem CID107764329
Molecular FormulaC11H12Cl2O3S2
Molecular Weight327.25 g/mol
Exact Mass325.96
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-2-(2-methyloxolan-3-yl)sulfinylethanone
SMILESCC1OCCC1S(=O)CC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H12Cl2O3S2/c1-6-9(2-3-16-6)18(15)5-8(14)7-4-10(12)17-11(7)13/h4,6,9H,2-3,5H2,1H3
InChIKeyOTTSUUIQLOSNGR-UHFFFAOYSA-N
XLogP3.16
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methyloxolan-3-yl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone
CID 107764219
2-cyclopentylsulfinyl-1-(2,5-dichlorothiophen-3-yl)ethanone
CID 64639379
2-(2-methyloxolan-3-yl)sulfinyl-1-(4-propan-2-ylphenyl)ethanone
CID 107764229
1-(furan-2-yl)-2-(2-methyloxolan-3-yl)sulfinylethanone
CID 107764333
3,3-dimethyl-1-(2-methyloxolan-3-yl)sulfinylbutan-2-one
CID 107764349
4-(2-methyloxolan-3-yl)sulfinylbutan-2-amine
CID 107758428
N-(furan-2-ylmethyl)-2-[(R)-[(2R,3R)-2-methyloxolan-3-yl]sulfinyl]acetamide
CID 99108035
3-[(2-methyloxolan-3-yl)sulfinylmethyl]benzoic acid
CID 107753094
1-(2,5-dichlorothiophen-3-yl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 104967877
1-(2,5-dichlorothiophen-3-yl)-2-(2,4-difluorophenyl)sulfinylethanone
CID 64640302
(2,5-dichlorothiophen-3-yl)-(5-methyloxolan-2-yl)methanone
CID 81329909
2-[3-(2-methyloxolan-3-yl)sulfinylpropoxy]aniline
CID 107753497

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-(2-methyloxolan-3-yl)sulfinylethanone?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-(2-methyloxolan-3-yl)sulfinylethanone (CID 107764329) is 1-(2,5-dichlorothiophen-3-yl)-2-(2-methyloxolan-3-yl)sulfinylethanone.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-2-(2-methyloxolan-3-yl)sulfinylethanone?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-2-(2-methyloxolan-3-yl)sulfinylethanone is CC1OCCC1S(=O)CC(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-2-(2-methyloxolan-3-yl)sulfinylethanone?
The InChIKey is OTTSUUIQLOSNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O3S2/c1-6-9(2-3-16-6)18(15)5-8(14)7-4-10(12)17-11(7)13/h4,6,9H,2-3,5H2,1H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-2-(2-methyloxolan-3-yl)sulfinylethanone?
1-(2,5-dichlorothiophen-3-yl)-2-(2-methyloxolan-3-yl)sulfinylethanone has a molecular weight of 327.25 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-2-(2-methyloxolan-3-yl)sulfinylethanone is sourced from PubChem (CID 107764329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).