dithiophen-2-ylmethanone;2-thiophen-2-ylthiophene

C17H12OS4 — CID 161486915

IUPACdithiophen-2-ylmethanone;2-thiophen-2-ylthiophene
SMILESO=C(c1cccs1)c1cccs1.c1csc(-c2cccs2)c1
InChIInChI=1S/C9H6OS2.C8H6S2/c10-9(7-3-1-5-11-7)8-4-2-6-12-8;1-3-7(9-5-1)8-4-2-6-10-8/h1-6H;1-6H
InChIKeyWFBYZUWVSCBFNU-UHFFFAOYSA-N
MW360.55 g/mol
LogP6.52
Rot. Bonds3

About dithiophen-2-ylmethanone;2-thiophen-2-ylthiophene

dithiophen-2-ylmethanone;2-thiophen-2-ylthiophene (PubChem CID 161486915) has the molecular formula C17H12OS4 and a molecular weight of 360.55 g/mol. Its IUPAC name is dithiophen-2-ylmethanone;2-thiophen-2-ylthiophene.

Molecular Properties

Compound Namedithiophen-2-ylmethanone;2-thiophen-2-ylthiophene
PubChem CID161486915
Molecular FormulaC17H12OS4
Molecular Weight360.55 g/mol
Exact Mass359.98
IUPAC Namedithiophen-2-ylmethanone;2-thiophen-2-ylthiophene
SMILESO=C(c1cccs1)c1cccs1.c1csc(-c2cccs2)c1
InChIInChI=1S/C9H6OS2.C8H6S2/c10-9(7-3-1-5-11-7)8-4-2-6-12-8;1-3-7(9-5-1)8-4-2-6-10-8/h1-6H;1-6H
InChIKeyWFBYZUWVSCBFNU-UHFFFAOYSA-N
XLogP6.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.55
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(thiophene-2-carbonyl)thieno[3,2-b]thiophen-2-yl]-thiophen-2-ylmethanone
CID 102424317
thiophen-2-yl-(5-thiophen-2-yl-1H-imidazol-2-yl)methanone
CID 10587435
(3-chlorothiophen-2-yl)-thiophen-2-ylmethanone
CID 80529755
(2-methylthiophen-3-yl)-thiophen-2-ylmethanone
CID 102830577
2,3-dimethoxythiophene;dithiophen-2-ylmethanone
CID 21434714
[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
thiophene-2-carboxylic acid;dihydrochloride
CID 142681507
CID 11204853
CID 11204853
oxido(thiophene-2-carbonyl)azanium
CID 141173864
[3-(thiophene-2-carbonyl)naphthalen-2-yl]-thiophen-2-ylmethanone
CID 5082064
sodium thiophene-2-carboxylate
CID 23672340
formaldehyde;thiophene-2-carboxylic acid
CID 158716916

Frequently Asked Questions

What is the IUPAC name of dithiophen-2-ylmethanone;2-thiophen-2-ylthiophene?
The IUPAC name of dithiophen-2-ylmethanone;2-thiophen-2-ylthiophene (CID 161486915) is dithiophen-2-ylmethanone;2-thiophen-2-ylthiophene.
What is the SMILES notation for dithiophen-2-ylmethanone;2-thiophen-2-ylthiophene?
The canonical SMILES for dithiophen-2-ylmethanone;2-thiophen-2-ylthiophene is O=C(c1cccs1)c1cccs1.c1csc(-c2cccs2)c1.
What is the InChIKey of dithiophen-2-ylmethanone;2-thiophen-2-ylthiophene?
The InChIKey is WFBYZUWVSCBFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6OS2.C8H6S2/c10-9(7-3-1-5-11-7)8-4-2-6-12-8;1-3-7(9-5-1)8-4-2-6-10-8/h1-6H;1-6H.
What are the key properties of dithiophen-2-ylmethanone;2-thiophen-2-ylthiophene?
dithiophen-2-ylmethanone;2-thiophen-2-ylthiophene has a molecular weight of 360.55 g/mol, XLogP of 6.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dithiophen-2-ylmethanone;2-thiophen-2-ylthiophene is sourced from PubChem (CID 161486915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).