2,3-dimethoxythiophene;dithiophen-2-ylmethanone

C15H14O3S3 — CID 21434714

IUPAC2,3-dimethoxythiophene;dithiophen-2-ylmethanone
SMILESCOc1ccsc1OC.O=C(c1cccs1)c1cccs1
InChIInChI=1S/C9H6OS2.C6H8O2S/c10-9(7-3-1-5-11-7)8-4-2-6-12-8;1-7-5-3-4-9-6(5)8-2/h1-6H;3-4H,1-2H3
InChIKeyZRQVBYIPQPICNE-UHFFFAOYSA-N
MW338.48 g/mol
LogP4.81
Rot. Bonds4

About 2,3-dimethoxythiophene;dithiophen-2-ylmethanone

2,3-dimethoxythiophene;dithiophen-2-ylmethanone (PubChem CID 21434714) has the molecular formula C15H14O3S3 and a molecular weight of 338.48 g/mol. Its IUPAC name is 2,3-dimethoxythiophene;dithiophen-2-ylmethanone.

Molecular Properties

Compound Name2,3-dimethoxythiophene;dithiophen-2-ylmethanone
PubChem CID21434714
Molecular FormulaC15H14O3S3
Molecular Weight338.48 g/mol
Exact Mass338.01
IUPAC Name2,3-dimethoxythiophene;dithiophen-2-ylmethanone
SMILESCOc1ccsc1OC.O=C(c1cccs1)c1cccs1
InChIInChI=1S/C9H6OS2.C6H8O2S/c10-9(7-3-1-5-11-7)8-4-2-6-12-8;1-7-5-3-4-9-6(5)8-2/h1-6H;3-4H,1-2H3
InChIKeyZRQVBYIPQPICNE-UHFFFAOYSA-N
XLogP4.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

thiophen-2-yl-(2,4,6-trimethoxyphenyl)methanone
CID 93191545
dithiophen-2-ylmethanone;2-thiophen-2-ylthiophene
CID 161486915
(4-methoxy-2,3-dimethylphenyl)-thiophen-2-ylmethanone
CID 57091683
(5-ethyl-2-methoxyphenyl)-thiophen-2-ylmethanone
CID 58753986
(5-methoxythiophen-2-yl)-thiophen-2-ylmethanone;thiophene
CID 173279551
2-(2-methoxyphenyl)sulfinyl-1-thiophen-2-ylethanone
CID 64635705
(2-methylthiophen-3-yl)-thiophen-2-ylmethanone
CID 102830577
(4-methoxyphenyl)-[2-(thiophene-2-carbonyl)phenyl]methanone
CID 71619058
[5-(thiophene-2-carbonyl)thieno[3,2-b]thiophen-2-yl]-thiophen-2-ylmethanone
CID 102424317
methyl 2-oxo-2-thiophen-2-ylacetate
CID 11217486
N-(2-carbamoyl-3-methoxyphenyl)thiophene-2-carboxamide
CID 177168105
N-(2-methoxyphenyl)-2-oxo-2-thiophen-2-ylacetamide
CID 82121621

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxythiophene;dithiophen-2-ylmethanone?
The IUPAC name of 2,3-dimethoxythiophene;dithiophen-2-ylmethanone (CID 21434714) is 2,3-dimethoxythiophene;dithiophen-2-ylmethanone.
What is the SMILES notation for 2,3-dimethoxythiophene;dithiophen-2-ylmethanone?
The canonical SMILES for 2,3-dimethoxythiophene;dithiophen-2-ylmethanone is COc1ccsc1OC.O=C(c1cccs1)c1cccs1.
What is the InChIKey of 2,3-dimethoxythiophene;dithiophen-2-ylmethanone?
The InChIKey is ZRQVBYIPQPICNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6OS2.C6H8O2S/c10-9(7-3-1-5-11-7)8-4-2-6-12-8;1-7-5-3-4-9-6(5)8-2/h1-6H;3-4H,1-2H3.
What are the key properties of 2,3-dimethoxythiophene;dithiophen-2-ylmethanone?
2,3-dimethoxythiophene;dithiophen-2-ylmethanone has a molecular weight of 338.48 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxythiophene;dithiophen-2-ylmethanone is sourced from PubChem (CID 21434714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).