1,2-dithiophen-2-ylethanone

C10H8OS2 — CID 13427165

IUPAC1,2-dithiophen-2-ylethanone
SMILESO=C(Cc1cccs1)c1cccs1
InChIInChI=1S/C10H8OS2/c11-9(10-4-2-6-13-10)7-8-3-1-5-12-8/h1-6H,7H2
InChIKeyXVQFNXBESFIQOH-UHFFFAOYSA-N
MW208.31 g/mol
LogP3.23
Rot. Bonds3

About 1,2-dithiophen-2-ylethanone

1,2-dithiophen-2-ylethanone (PubChem CID 13427165) has the molecular formula C10H8OS2 and a molecular weight of 208.31 g/mol. Its IUPAC name is 1,2-dithiophen-2-ylethanone.

Molecular Properties

Compound Name1,2-dithiophen-2-ylethanone
PubChem CID13427165
Molecular FormulaC10H8OS2
Molecular Weight208.31 g/mol
Exact Mass208.00
IUPAC Name1,2-dithiophen-2-ylethanone
SMILESO=C(Cc1cccs1)c1cccs1
InChIInChI=1S/C10H8OS2/c11-9(10-4-2-6-13-10)7-8-3-1-5-12-8/h1-6H,7H2
InChIKeyXVQFNXBESFIQOH-UHFFFAOYSA-N
XLogP3.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-dithiophen-2-ylethanone?
The IUPAC name of 1,2-dithiophen-2-ylethanone (CID 13427165) is 1,2-dithiophen-2-ylethanone.
What is the SMILES notation for 1,2-dithiophen-2-ylethanone?
The canonical SMILES for 1,2-dithiophen-2-ylethanone is O=C(Cc1cccs1)c1cccs1.
What is the InChIKey of 1,2-dithiophen-2-ylethanone?
The InChIKey is XVQFNXBESFIQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8OS2/c11-9(10-4-2-6-13-10)7-8-3-1-5-12-8/h1-6H,7H2.
What are the key properties of 1,2-dithiophen-2-ylethanone?
1,2-dithiophen-2-ylethanone has a molecular weight of 208.31 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dithiophen-2-ylethanone is sourced from PubChem (CID 13427165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).