1,3-oxazolidine-2,4-dione;2-sulfanylideneimidazolidin-4-one

C6H7N3O4S — CID 174643309

IUPAC1,3-oxazolidine-2,4-dione;2-sulfanylideneimidazolidin-4-one
SMILESO=C1CNC(=S)N1.O=C1COC(=O)N1
InChIInChI=1S/C3H4N2OS.C3H3NO3/c6-2-1-4-3(7)5-2;5-2-1-7-3(6)4-2/h1H2,(H2,4,5,6,7);1H2,(H,4,5,6)
InChIKeyOVQBHZYCWFWELT-UHFFFAOYSA-N
MW217.21 g/mol
LogP-1.76
Rot. Bonds

About 1,3-oxazolidine-2,4-dione;2-sulfanylideneimidazolidin-4-one

1,3-oxazolidine-2,4-dione;2-sulfanylideneimidazolidin-4-one (PubChem CID 174643309) has the molecular formula C6H7N3O4S and a molecular weight of 217.21 g/mol. Its IUPAC name is 1,3-oxazolidine-2,4-dione;2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name1,3-oxazolidine-2,4-dione;2-sulfanylideneimidazolidin-4-one
PubChem CID174643309
Molecular FormulaC6H7N3O4S
Molecular Weight217.21 g/mol
Exact Mass217.02
IUPAC Name1,3-oxazolidine-2,4-dione;2-sulfanylideneimidazolidin-4-one
SMILESO=C1CNC(=S)N1.O=C1COC(=O)N1
InChIInChI=1S/C3H4N2OS.C3H3NO3/c6-2-1-4-3(7)5-2;5-2-1-7-3(6)4-2/h1H2,(H2,4,5,6,7);1H2,(H,4,5,6)
InChIKeyOVQBHZYCWFWELT-UHFFFAOYSA-N
XLogP-1.76
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 5-1.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4-sulfanylidene-1,3-oxazolidin-2-one
CID 15292581
2-sulfanylidene-1,3,4,6-tetrahydropyrido[3,2-d][1,3,6]triazocin-5-one
CID 91726791
5-deuterio-1,3-oxazolidine-2,4-dione
CID 154066027
4H-pyrazino[2,3-b][1,4]oxazin-3-one
CID 118022747
sodium 2-sulfanylidene-1,3-diazinane-4,6-dione
CID 21151290
copper;imidazolidine-2,4-dione
CID 67120841
imidazolidine-2,4-dione;trihydrate
CID 70617866
1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 71356739
CID 101192415
CID 101192415
ethane;imidazolidine-2,4-dione
CID 90911393
aziridin-2-one
CID 158991665
4,5-dimethyl-3,6-dihydro-1,3-oxazin-2-one;ethane
CID 145281201

Frequently Asked Questions

What is the IUPAC name of 1,3-oxazolidine-2,4-dione;2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 1,3-oxazolidine-2,4-dione;2-sulfanylideneimidazolidin-4-one (CID 174643309) is 1,3-oxazolidine-2,4-dione;2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 1,3-oxazolidine-2,4-dione;2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 1,3-oxazolidine-2,4-dione;2-sulfanylideneimidazolidin-4-one is O=C1CNC(=S)N1.O=C1COC(=O)N1.
What is the InChIKey of 1,3-oxazolidine-2,4-dione;2-sulfanylideneimidazolidin-4-one?
The InChIKey is OVQBHZYCWFWELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2OS.C3H3NO3/c6-2-1-4-3(7)5-2;5-2-1-7-3(6)4-2/h1H2,(H2,4,5,6,7);1H2,(H,4,5,6).
What are the key properties of 1,3-oxazolidine-2,4-dione;2-sulfanylideneimidazolidin-4-one?
1,3-oxazolidine-2,4-dione;2-sulfanylideneimidazolidin-4-one has a molecular weight of 217.21 g/mol, XLogP of -1.76, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazolidine-2,4-dione;2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 174643309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).