2-methyl-[1,3]dithiolo[4,5-d][1,3]dithiol-5-one

C5H4OS4 — CID 10921720

IUPAC2-methyl-[1,3]dithiolo[4,5-d][1,3]dithiol-5-one
SMILESCC1Sc2sc(=O)sc2S1
InChIInChI=1S/C5H4OS4/c1-2-7-3-4(8-2)10-5(6)9-3/h2H,1H3
InChIKeyIORLICQVRZSOCX-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.71
Rot. Bonds

About 2-methyl-[1,3]dithiolo[4,5-d][1,3]dithiol-5-one

2-methyl-[1,3]dithiolo[4,5-d][1,3]dithiol-5-one (PubChem CID 10921720) has the molecular formula C5H4OS4 and a molecular weight of 208.35 g/mol. Its IUPAC name is 2-methyl-[1,3]dithiolo[4,5-d][1,3]dithiol-5-one.

Molecular Properties

Compound Name2-methyl-[1,3]dithiolo[4,5-d][1,3]dithiol-5-one
PubChem CID10921720
Molecular FormulaC5H4OS4
Molecular Weight208.35 g/mol
Exact Mass207.91
IUPAC Name2-methyl-[1,3]dithiolo[4,5-d][1,3]dithiol-5-one
SMILESCC1Sc2sc(=O)sc2S1
InChIInChI=1S/C5H4OS4/c1-2-7-3-4(8-2)10-5(6)9-3/h2H,1H3
InChIKeyIORLICQVRZSOCX-UHFFFAOYSA-N
XLogP2.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-[1,3]dithiolo[4,5-d][1,3]dithiol-5-one?
The IUPAC name of 2-methyl-[1,3]dithiolo[4,5-d][1,3]dithiol-5-one (CID 10921720) is 2-methyl-[1,3]dithiolo[4,5-d][1,3]dithiol-5-one.
What is the SMILES notation for 2-methyl-[1,3]dithiolo[4,5-d][1,3]dithiol-5-one?
The canonical SMILES for 2-methyl-[1,3]dithiolo[4,5-d][1,3]dithiol-5-one is CC1Sc2sc(=O)sc2S1.
What is the InChIKey of 2-methyl-[1,3]dithiolo[4,5-d][1,3]dithiol-5-one?
The InChIKey is IORLICQVRZSOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4OS4/c1-2-7-3-4(8-2)10-5(6)9-3/h2H,1H3.
What are the key properties of 2-methyl-[1,3]dithiolo[4,5-d][1,3]dithiol-5-one?
2-methyl-[1,3]dithiolo[4,5-d][1,3]dithiol-5-one has a molecular weight of 208.35 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-[1,3]dithiolo[4,5-d][1,3]dithiol-5-one is sourced from PubChem (CID 10921720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).