2-(4-chlorophenyl)sulfanyl-1-(5-ethylthiophen-2-yl)ethanone

C14H13ClOS2 — CID 43222109

IUPAC2-(4-chlorophenyl)sulfanyl-1-(5-ethylthiophen-2-yl)ethanone
SMILESCCc1ccc(C(=O)CSc2ccc(Cl)cc2)s1
InChIInChI=1S/C14H13ClOS2/c1-2-11-7-8-14(18-11)13(16)9-17-12-5-3-10(15)4-6-12/h3-8H,2,9H2,1H3
InChIKeyRWMMRXASGGWDNF-UHFFFAOYSA-N
MW296.84 g/mol
LogP4.94
Rot. Bonds5

About 2-(4-chlorophenyl)sulfanyl-1-(5-ethylthiophen-2-yl)ethanone

2-(4-chlorophenyl)sulfanyl-1-(5-ethylthiophen-2-yl)ethanone (PubChem CID 43222109) has the molecular formula C14H13ClOS2 and a molecular weight of 296.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-1-(5-ethylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-1-(5-ethylthiophen-2-yl)ethanone
PubChem CID43222109
Molecular FormulaC14H13ClOS2
Molecular Weight296.84 g/mol
Exact Mass296.01
IUPAC Name2-(4-chlorophenyl)sulfanyl-1-(5-ethylthiophen-2-yl)ethanone
SMILESCCc1ccc(C(=O)CSc2ccc(Cl)cc2)s1
InChIInChI=1S/C14H13ClOS2/c1-2-11-7-8-14(18-11)13(16)9-17-12-5-3-10(15)4-6-12/h3-8H,2,9H2,1H3
InChIKeyRWMMRXASGGWDNF-UHFFFAOYSA-N
XLogP4.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-ethylthiophen-2-yl)-2-(4-fluorophenyl)sulfanylethanone
CID 43222169
2-(2,4-difluorophenyl)sulfanyl-1-(5-ethylthiophen-2-yl)ethanone
CID 43224827
2-[5-[2-(4-methylphenyl)sulfanylacetyl]thiophen-2-yl]acetate
CID 6930231
1-(5-ethylthiophen-2-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone
CID 60659817
2-(1,3-benzoxazol-2-ylsulfanyl)-1-(5-ethylthiophen-2-yl)ethanone
CID 43222095
1-(5-chlorothiophen-2-yl)-2-phenylsulfanylethanone
CID 43413346
2-[5-[2-(4-chlorophenyl)sulfanylacetyl]thiophen-2-yl]-N-(5-cyclopropylpyrazol-1-yl)acetamide
CID 91108104
3-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 60659668
N-[2-[5-[2-(4-propan-2-ylphenyl)sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide
CID 39044976
4-ethyl-3-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one
CID 55023861
2-(3,4-difluorophenyl)sulfanyl-1-(5-methylthiophen-2-yl)ethanone
CID 43224978
1-(5-ethylthiophen-2-yl)pentan-1-one
CID 43160903

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-1-(5-ethylthiophen-2-yl)ethanone?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-1-(5-ethylthiophen-2-yl)ethanone (CID 43222109) is 2-(4-chlorophenyl)sulfanyl-1-(5-ethylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-1-(5-ethylthiophen-2-yl)ethanone?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-1-(5-ethylthiophen-2-yl)ethanone is CCc1ccc(C(=O)CSc2ccc(Cl)cc2)s1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-1-(5-ethylthiophen-2-yl)ethanone?
The InChIKey is RWMMRXASGGWDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClOS2/c1-2-11-7-8-14(18-11)13(16)9-17-12-5-3-10(15)4-6-12/h3-8H,2,9H2,1H3.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-1-(5-ethylthiophen-2-yl)ethanone?
2-(4-chlorophenyl)sulfanyl-1-(5-ethylthiophen-2-yl)ethanone has a molecular weight of 296.84 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-1-(5-ethylthiophen-2-yl)ethanone is sourced from PubChem (CID 43222109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).