4-[(2R)-butan-2-yl]-1,2,4-dithiazolidine-3,5-dione

C6H9NO2S2 — CID 11116864

IUPAC4-[(2R)-butan-2-yl]-1,2,4-dithiazolidine-3,5-dione
SMILESCC[C@@H](C)n1c(=O)ssc1=O
InChIInChI=1S/C6H9NO2S2/c1-3-4(2)7-5(8)10-11-6(7)9/h4H,3H2,1-2H3/t4-/m1/s1
InChIKeyQGRDOCYSQNMAMH-SCSAIBSYSA-N
MW191.28 g/mol
LogP1.30
Rot. Bonds2

About 4-[(2R)-butan-2-yl]-1,2,4-dithiazolidine-3,5-dione

4-[(2R)-butan-2-yl]-1,2,4-dithiazolidine-3,5-dione (PubChem CID 11116864) has the molecular formula C6H9NO2S2 and a molecular weight of 191.28 g/mol. Its IUPAC name is 4-[(2R)-butan-2-yl]-1,2,4-dithiazolidine-3,5-dione.

Molecular Properties

Compound Name4-[(2R)-butan-2-yl]-1,2,4-dithiazolidine-3,5-dione
PubChem CID11116864
Molecular FormulaC6H9NO2S2
Molecular Weight191.28 g/mol
Exact Mass191.01
IUPAC Name4-[(2R)-butan-2-yl]-1,2,4-dithiazolidine-3,5-dione
SMILESCC[C@@H](C)n1c(=O)ssc1=O
InChIInChI=1S/C6H9NO2S2/c1-3-4(2)7-5(8)10-11-6(7)9/h4H,3H2,1-2H3/t4-/m1/s1
InChIKeyQGRDOCYSQNMAMH-SCSAIBSYSA-N
XLogP1.30
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-butan-2-yl]-1,2,4-dithiazolidine-3,5-dione?
The IUPAC name of 4-[(2R)-butan-2-yl]-1,2,4-dithiazolidine-3,5-dione (CID 11116864) is 4-[(2R)-butan-2-yl]-1,2,4-dithiazolidine-3,5-dione.
What is the SMILES notation for 4-[(2R)-butan-2-yl]-1,2,4-dithiazolidine-3,5-dione?
The canonical SMILES for 4-[(2R)-butan-2-yl]-1,2,4-dithiazolidine-3,5-dione is CC[C@@H](C)n1c(=O)ssc1=O.
What is the InChIKey of 4-[(2R)-butan-2-yl]-1,2,4-dithiazolidine-3,5-dione?
The InChIKey is QGRDOCYSQNMAMH-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H9NO2S2/c1-3-4(2)7-5(8)10-11-6(7)9/h4H,3H2,1-2H3/t4-/m1/s1.
What are the key properties of 4-[(2R)-butan-2-yl]-1,2,4-dithiazolidine-3,5-dione?
4-[(2R)-butan-2-yl]-1,2,4-dithiazolidine-3,5-dione has a molecular weight of 191.28 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-butan-2-yl]-1,2,4-dithiazolidine-3,5-dione is sourced from PubChem (CID 11116864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).