1-(5-chlorothiophen-2-yl)-2-(2,5-dichlorophenyl)sulfanylethanone

C12H7Cl3OS2 — CID 43414112

IUPAC1-(5-chlorothiophen-2-yl)-2-(2,5-dichlorophenyl)sulfanylethanone
SMILESO=C(CSc1cc(Cl)ccc1Cl)c1ccc(Cl)s1
InChIInChI=1S/C12H7Cl3OS2/c13-7-1-2-8(14)11(5-7)17-6-9(16)10-3-4-12(15)18-10/h1-5H,6H2
InChIKeyBZBDDHHEIIYUOP-UHFFFAOYSA-N
MW337.68 g/mol
LogP5.68
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-2-(2,5-dichlorophenyl)sulfanylethanone

1-(5-chlorothiophen-2-yl)-2-(2,5-dichlorophenyl)sulfanylethanone (PubChem CID 43414112) has the molecular formula C12H7Cl3OS2 and a molecular weight of 337.68 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-(2,5-dichlorophenyl)sulfanylethanone.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-(2,5-dichlorophenyl)sulfanylethanone
PubChem CID43414112
Molecular FormulaC12H7Cl3OS2
Molecular Weight337.68 g/mol
Exact Mass335.90
IUPAC Name1-(5-chlorothiophen-2-yl)-2-(2,5-dichlorophenyl)sulfanylethanone
SMILESO=C(CSc1cc(Cl)ccc1Cl)c1ccc(Cl)s1
InChIInChI=1S/C12H7Cl3OS2/c13-7-1-2-8(14)11(5-7)17-6-9(16)10-3-4-12(15)18-10/h1-5H,6H2
InChIKeyBZBDDHHEIIYUOP-UHFFFAOYSA-N
XLogP5.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.68
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromophenyl)sulfanyl-1-(5-chlorothiophen-2-yl)ethanone
CID 43231185
1-(5-chlorothiophen-2-yl)-2-phenylsulfanylethanone
CID 43413346
2-(2,5-dichlorophenyl)sulfanyl-1-(3,4-dihydroxyphenyl)ethanone
CID 43218405
2-(2,5-dichlorophenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone
CID 43414058
2-(2,5-dichlorophenyl)sulfanyl-1-(2-fluorophenyl)ethanone
CID 43414111
2-(2,5-dichlorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide
CID 43390208
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide
CID 55750496
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(5-chlorothiophen-2-yl)ethanone
CID 38968189
2-(4-chlorophenyl)-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]acetohydrazide
CID 7969708
2-[[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(5-chlorothiophen-2-yl)ethanone
CID 2438363
2-(2,5-dichlorophenyl)sulfanyl-N-[(2S)-2-hydroxypropyl]acetamide
CID 83029637
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,5-dichlorophenyl)sulfanylacetamide
CID 3338455

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(2,5-dichlorophenyl)sulfanylethanone?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(2,5-dichlorophenyl)sulfanylethanone (CID 43414112) is 1-(5-chlorothiophen-2-yl)-2-(2,5-dichlorophenyl)sulfanylethanone.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-(2,5-dichlorophenyl)sulfanylethanone?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-(2,5-dichlorophenyl)sulfanylethanone is O=C(CSc1cc(Cl)ccc1Cl)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-(2,5-dichlorophenyl)sulfanylethanone?
The InChIKey is BZBDDHHEIIYUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3OS2/c13-7-1-2-8(14)11(5-7)17-6-9(16)10-3-4-12(15)18-10/h1-5H,6H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-(2,5-dichlorophenyl)sulfanylethanone?
1-(5-chlorothiophen-2-yl)-2-(2,5-dichlorophenyl)sulfanylethanone has a molecular weight of 337.68 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-(2,5-dichlorophenyl)sulfanylethanone is sourced from PubChem (CID 43414112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).