1-(2,5-dimethylthiophen-3-yl)-2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]sulfanylethanone

C16H18O2S3 — CID 15351461

IUPAC1-(2,5-dimethylthiophen-3-yl)-2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]sulfanylethanone
SMILESCc1cc(C(=O)CSCC(=O)c2cc(C)sc2C)c(C)s1
InChIInChI=1S/C16H18O2S3/c1-9-5-13(11(3)20-9)15(17)7-19-8-16(18)14-6-10(2)21-12(14)4/h5-6H,7-8H2,1-4H3
InChIKeyGGKPFZZBWSPWTD-UHFFFAOYSA-N
MW338.52 g/mol
LogP4.84
Rot. Bonds6

About 1-(2,5-dimethylthiophen-3-yl)-2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]sulfanylethanone

1-(2,5-dimethylthiophen-3-yl)-2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]sulfanylethanone (PubChem CID 15351461) has the molecular formula C16H18O2S3 and a molecular weight of 338.52 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]sulfanylethanone.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]sulfanylethanone
PubChem CID15351461
Molecular FormulaC16H18O2S3
Molecular Weight338.52 g/mol
Exact Mass338.05
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]sulfanylethanone
SMILESCc1cc(C(=O)CSCC(=O)c2cc(C)sc2C)c(C)s1
InChIInChI=1S/C16H18O2S3/c1-9-5-13(11(3)20-9)15(17)7-19-8-16(18)14-6-10(2)21-12(14)4/h5-6H,7-8H2,1-4H3
InChIKeyGGKPFZZBWSPWTD-UHFFFAOYSA-N
XLogP4.84
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2,5-dimethylthiophen-3-yl)-2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]sulfanylethanone with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]sulfanylethanone?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]sulfanylethanone (CID 15351461) is 1-(2,5-dimethylthiophen-3-yl)-2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]sulfanylethanone.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]sulfanylethanone?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]sulfanylethanone is Cc1cc(C(=O)CSCC(=O)c2cc(C)sc2C)c(C)s1.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]sulfanylethanone?
The InChIKey is GGKPFZZBWSPWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2S3/c1-9-5-13(11(3)20-9)15(17)7-19-8-16(18)14-6-10(2)21-12(14)4/h5-6H,7-8H2,1-4H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]sulfanylethanone?
1-(2,5-dimethylthiophen-3-yl)-2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]sulfanylethanone has a molecular weight of 338.52 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)-2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]sulfanylethanone is sourced from PubChem (CID 15351461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).