1-(2,5-dichlorothiophen-3-yl)-2-(thian-4-yl)ethanone

C11H12Cl2OS2 — CID 107962795

IUPAC1-(2,5-dichlorothiophen-3-yl)-2-(thian-4-yl)ethanone
SMILESO=C(CC1CCSCC1)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H12Cl2OS2/c12-10-6-8(11(13)16-10)9(14)5-7-1-3-15-4-2-7/h6-7H,1-5H2
InChIKeyRCRIDYLKEZAWRQ-UHFFFAOYSA-N
MW295.26 g/mol
LogP4.77
Rot. Bonds3

About 1-(2,5-dichlorothiophen-3-yl)-2-(thian-4-yl)ethanone

1-(2,5-dichlorothiophen-3-yl)-2-(thian-4-yl)ethanone (PubChem CID 107962795) has the molecular formula C11H12Cl2OS2 and a molecular weight of 295.26 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-2-(thian-4-yl)ethanone.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-2-(thian-4-yl)ethanone
PubChem CID107962795
Molecular FormulaC11H12Cl2OS2
Molecular Weight295.26 g/mol
Exact Mass293.97
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-2-(thian-4-yl)ethanone
SMILESO=C(CC1CCSCC1)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H12Cl2OS2/c12-10-6-8(11(13)16-10)9(14)5-7-1-3-15-4-2-7/h6-7H,1-5H2
InChIKeyRCRIDYLKEZAWRQ-UHFFFAOYSA-N
XLogP4.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclobutyl-1-(2,5-dichlorothiophen-3-yl)ethanone
CID 103162435
1-(5-bromo-2-chlorophenyl)-2-(thian-4-yl)ethanone
CID 83135686
1-(2,5-dichlorothiophen-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 107967700
2-cyclobutyloxy-1-(2,5-dichlorothiophen-3-yl)ethanone
CID 62139898
1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(thian-4-yl)ethanone
CID 106971869
2-cyclopentylsulfinyl-1-(2,5-dichlorothiophen-3-yl)ethanone
CID 64639379
1-(1-benzothiophen-2-yl)-2-(thian-4-yl)ethanone
CID 83136135
2,5-dichloro-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide
CID 103805410
N-(2-amino-2-cyclopropylethyl)-2,5-dichlorothiophene-3-carboxamide
CID 103872680
1-(2,5-dichlorothiophen-3-yl)-2-(oxetan-3-yloxy)ethanone
CID 102606968
N-(4-aminocyclohexyl)-2,5-dichlorothiophene-3-carboxamide;hydrochloride
CID 119476389
1-(3-bromophenyl)-2-(thian-4-yl)ethanone
CID 83136559

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-(thian-4-yl)ethanone?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-(thian-4-yl)ethanone (CID 107962795) is 1-(2,5-dichlorothiophen-3-yl)-2-(thian-4-yl)ethanone.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-2-(thian-4-yl)ethanone?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-2-(thian-4-yl)ethanone is O=C(CC1CCSCC1)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-2-(thian-4-yl)ethanone?
The InChIKey is RCRIDYLKEZAWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2OS2/c12-10-6-8(11(13)16-10)9(14)5-7-1-3-15-4-2-7/h6-7H,1-5H2.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-2-(thian-4-yl)ethanone?
1-(2,5-dichlorothiophen-3-yl)-2-(thian-4-yl)ethanone has a molecular weight of 295.26 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-2-(thian-4-yl)ethanone is sourced from PubChem (CID 107962795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).