di(thiophen-3-yl)methanone

C9H6OS2 — CID 573773

IUPACdi(thiophen-3-yl)methanone
SMILESO=C(c1ccsc1)c1ccsc1
InChIInChI=1S/C9H6OS2/c10-9(7-1-3-11-5-7)8-2-4-12-6-8/h1-6H
InChIKeyRMMZGPSYPUIIRO-UHFFFAOYSA-N
MW194.28 g/mol
LogP3.04
Rot. Bonds2

About di(thiophen-3-yl)methanone

di(thiophen-3-yl)methanone (PubChem CID 573773) has the molecular formula C9H6OS2 and a molecular weight of 194.28 g/mol. Its IUPAC name is di(thiophen-3-yl)methanone.

Molecular Properties

Compound Namedi(thiophen-3-yl)methanone
PubChem CID573773
Molecular FormulaC9H6OS2
Molecular Weight194.28 g/mol
Exact Mass193.99
IUPAC Namedi(thiophen-3-yl)methanone
SMILESO=C(c1ccsc1)c1ccsc1
InChIInChI=1S/C9H6OS2/c10-9(7-1-3-11-5-7)8-2-4-12-6-8/h1-6H
InChIKeyRMMZGPSYPUIIRO-UHFFFAOYSA-N
XLogP3.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of di(thiophen-3-yl)methanone?
The IUPAC name of di(thiophen-3-yl)methanone (CID 573773) is di(thiophen-3-yl)methanone.
What is the SMILES notation for di(thiophen-3-yl)methanone?
The canonical SMILES for di(thiophen-3-yl)methanone is O=C(c1ccsc1)c1ccsc1.
What is the InChIKey of di(thiophen-3-yl)methanone?
The InChIKey is RMMZGPSYPUIIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6OS2/c10-9(7-1-3-11-5-7)8-2-4-12-6-8/h1-6H.
What are the key properties of di(thiophen-3-yl)methanone?
di(thiophen-3-yl)methanone has a molecular weight of 194.28 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for di(thiophen-3-yl)methanone is sourced from PubChem (CID 573773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).