4-methyl-1,2,4-dithiazolidine-3,5-dione

C3H3NO2S2 — CID 6539161

IUPAC4-methyl-1,2,4-dithiazolidine-3,5-dione
SMILESCn1c(=O)ssc1=O
InChIInChI=1S/C3H3NO2S2/c1-4-2(5)7-8-3(4)6/h1H3
InChIKeyJJEIFYGMXLHTNE-UHFFFAOYSA-N
MW149.20 g/mol
LogP-0.13
Rot. Bonds

About 4-methyl-1,2,4-dithiazolidine-3,5-dione

4-methyl-1,2,4-dithiazolidine-3,5-dione (PubChem CID 6539161) has the molecular formula C3H3NO2S2 and a molecular weight of 149.20 g/mol. Its IUPAC name is 4-methyl-1,2,4-dithiazolidine-3,5-dione.

Molecular Properties

Compound Name4-methyl-1,2,4-dithiazolidine-3,5-dione
PubChem CID6539161
Molecular FormulaC3H3NO2S2
Molecular Weight149.20 g/mol
Exact Mass148.96
IUPAC Name4-methyl-1,2,4-dithiazolidine-3,5-dione
SMILESCn1c(=O)ssc1=O
InChIInChI=1S/C3H3NO2S2/c1-4-2(5)7-8-3(4)6/h1H3
InChIKeyJJEIFYGMXLHTNE-UHFFFAOYSA-N
XLogP-0.13
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,2,4-dithiazolidine-3,5-dione?
The IUPAC name of 4-methyl-1,2,4-dithiazolidine-3,5-dione (CID 6539161) is 4-methyl-1,2,4-dithiazolidine-3,5-dione.
What is the SMILES notation for 4-methyl-1,2,4-dithiazolidine-3,5-dione?
The canonical SMILES for 4-methyl-1,2,4-dithiazolidine-3,5-dione is Cn1c(=O)ssc1=O.
What is the InChIKey of 4-methyl-1,2,4-dithiazolidine-3,5-dione?
The InChIKey is JJEIFYGMXLHTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3NO2S2/c1-4-2(5)7-8-3(4)6/h1H3.
What are the key properties of 4-methyl-1,2,4-dithiazolidine-3,5-dione?
4-methyl-1,2,4-dithiazolidine-3,5-dione has a molecular weight of 149.20 g/mol, XLogP of -0.13, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,2,4-dithiazolidine-3,5-dione is sourced from PubChem (CID 6539161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).