[5-(thiophene-2-carbonyl)thieno[3,2-b]thiophen-2-yl]-thiophen-2-ylmethanone

C16H8O2S4 — CID 102424317

IUPAC[5-(thiophene-2-carbonyl)thieno[3,2-b]thiophen-2-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)c1cc2sc(C(=O)c3cccs3)cc2s1
InChIInChI=1S/C16H8O2S4/c17-15(9-3-1-5-19-9)13-7-11-12(21-13)8-14(22-11)16(18)10-4-2-6-20-10/h1-8H
InChIKeyMQMXKOBKJVMSFF-UHFFFAOYSA-N
MW360.51 g/mol
LogP5.55
Rot. Bonds4

About [5-(thiophene-2-carbonyl)thieno[3,2-b]thiophen-2-yl]-thiophen-2-ylmethanone

[5-(thiophene-2-carbonyl)thieno[3,2-b]thiophen-2-yl]-thiophen-2-ylmethanone (PubChem CID 102424317) has the molecular formula C16H8O2S4 and a molecular weight of 360.51 g/mol. Its IUPAC name is [5-(thiophene-2-carbonyl)thieno[3,2-b]thiophen-2-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[5-(thiophene-2-carbonyl)thieno[3,2-b]thiophen-2-yl]-thiophen-2-ylmethanone
PubChem CID102424317
Molecular FormulaC16H8O2S4
Molecular Weight360.51 g/mol
Exact Mass359.94
IUPAC Name[5-(thiophene-2-carbonyl)thieno[3,2-b]thiophen-2-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)c1cc2sc(C(=O)c3cccs3)cc2s1
InChIInChI=1S/C16H8O2S4/c17-15(9-3-1-5-19-9)13-7-11-12(21-13)8-14(22-11)16(18)10-4-2-6-20-10/h1-8H
InChIKeyMQMXKOBKJVMSFF-UHFFFAOYSA-N
XLogP5.55
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.51
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[10-(thiophene-2-carbonyl)-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-thiophen-2-ylmethanone
CID 102424318
dithiophen-2-ylmethanone;2-thiophen-2-ylthiophene
CID 161486915
[3-(thiophene-2-carbonyl)naphthalen-2-yl]-thiophen-2-ylmethanone
CID 5082064
thiophene-2-carboxylic acid;dihydrochloride
CID 142681507
CID 11204853
CID 11204853
(3-bromophenyl)-thiophen-2-ylmethanone
CID 5305254
(3-aminophenyl)-thiophen-2-ylmethanone
CID 23009095
bis(1-benzothiophen-2-yl)methanone
CID 5330534
oxido(thiophene-2-carbonyl)azanium
CID 141173864
[2-[7-(thiophene-2-carbonyl)-[1,3]benzothiazolo[6,5-f][1,3]benzothiazol-2-yl]-[1,3]benzothiazolo[6,5-f][1,3]benzothiazol-7-yl]-thiophen-2-ylmethanone
CID 169314249
[2-azaniumyl-4-(thiophene-2-carbonyl)phenyl]azanium chloride
CID 131667569
(2,4-difluorophenyl)-thiophen-2-ylmethanone
CID 43160742

Frequently Asked Questions

What is the IUPAC name of [5-(thiophene-2-carbonyl)thieno[3,2-b]thiophen-2-yl]-thiophen-2-ylmethanone?
The IUPAC name of [5-(thiophene-2-carbonyl)thieno[3,2-b]thiophen-2-yl]-thiophen-2-ylmethanone (CID 102424317) is [5-(thiophene-2-carbonyl)thieno[3,2-b]thiophen-2-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [5-(thiophene-2-carbonyl)thieno[3,2-b]thiophen-2-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [5-(thiophene-2-carbonyl)thieno[3,2-b]thiophen-2-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)c1cc2sc(C(=O)c3cccs3)cc2s1.
What is the InChIKey of [5-(thiophene-2-carbonyl)thieno[3,2-b]thiophen-2-yl]-thiophen-2-ylmethanone?
The InChIKey is MQMXKOBKJVMSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8O2S4/c17-15(9-3-1-5-19-9)13-7-11-12(21-13)8-14(22-11)16(18)10-4-2-6-20-10/h1-8H.
What are the key properties of [5-(thiophene-2-carbonyl)thieno[3,2-b]thiophen-2-yl]-thiophen-2-ylmethanone?
[5-(thiophene-2-carbonyl)thieno[3,2-b]thiophen-2-yl]-thiophen-2-ylmethanone has a molecular weight of 360.51 g/mol, XLogP of 5.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(thiophene-2-carbonyl)thieno[3,2-b]thiophen-2-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 102424317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).