diethyl 1,1-dioxothiolane-2,3-dicarboxylate

C10H16O6S — CID 123598978

IUPACdiethyl 1,1-dioxothiolane-2,3-dicarboxylate
SMILESCCOC(=O)C1CCS(=O)(=O)C1C(=O)OCC
InChIInChI=1S/C10H16O6S/c1-3-15-9(11)7-5-6-17(13,14)8(7)10(12)16-4-2/h7-8H,3-6H2,1-2H3
InChIKeyYEVOVAXXDCMKBA-UHFFFAOYSA-N
MW264.30 g/mol
LogP-0.08
Rot. Bonds4

About diethyl 1,1-dioxothiolane-2,3-dicarboxylate

diethyl 1,1-dioxothiolane-2,3-dicarboxylate (PubChem CID 123598978) has the molecular formula C10H16O6S and a molecular weight of 264.30 g/mol. Its IUPAC name is diethyl 1,1-dioxothiolane-2,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 1,1-dioxothiolane-2,3-dicarboxylate
PubChem CID123598978
Molecular FormulaC10H16O6S
Molecular Weight264.30 g/mol
Exact Mass264.07
IUPAC Namediethyl 1,1-dioxothiolane-2,3-dicarboxylate
SMILESCCOC(=O)C1CCS(=O)(=O)C1C(=O)OCC
InChIInChI=1S/C10H16O6S/c1-3-15-9(11)7-5-6-17(13,14)8(7)10(12)16-4-2/h7-8H,3-6H2,1-2H3
InChIKeyYEVOVAXXDCMKBA-UHFFFAOYSA-N
XLogP-0.08
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Diethyl (1,1-dioxidotetrahydrothien-3-yl)malonate
CID 290012
Methyl 2-(1,1-dioxo-1lambda6-thiolan-3-yl)acetate
CID 290011
methyl [(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetate
CID 7116288
2-methylpropyl 2-[(3R)-1,1-dioxothiolan-3-yl]acetate
CID 165416229
Dibutyl thiolane-2,3-dicarboxylate
CID 19980700
2-Butoxycarbonylthiolane-3-carboxylic acid
CID 53858545
2-O-tert-butyl 3-O-ethyl thiolane-2,3-dicarboxylate
CID 57017150
3-O-tert-butyl 2-O-ethyl thiolane-2,3-dicarboxylate
CID 57085636
3-Methyl-3-(tetrahydro-pyran-4-sulfonyl)-dihydro-furan-2-one
CID 58280579
Methyl 2-ethyl-1,1-dioxothiolane-3-carboxylate
CID 58293922
ethyl 2-methyl-2-[[(3S)-oxolan-3-yl]methylsulfonyl]propanoate
CID 59253154
ethyl 2-methyl-2-[[(3R)-oxolan-3-yl]methylsulfonyl]propanoate
CID 59267991

Frequently Asked Questions

What is the IUPAC name of diethyl 1,1-dioxothiolane-2,3-dicarboxylate?
The IUPAC name of diethyl 1,1-dioxothiolane-2,3-dicarboxylate (CID 123598978) is diethyl 1,1-dioxothiolane-2,3-dicarboxylate.
What is the SMILES notation for diethyl 1,1-dioxothiolane-2,3-dicarboxylate?
The canonical SMILES for diethyl 1,1-dioxothiolane-2,3-dicarboxylate is CCOC(=O)C1CCS(=O)(=O)C1C(=O)OCC.
What is the InChIKey of diethyl 1,1-dioxothiolane-2,3-dicarboxylate?
The InChIKey is YEVOVAXXDCMKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O6S/c1-3-15-9(11)7-5-6-17(13,14)8(7)10(12)16-4-2/h7-8H,3-6H2,1-2H3.
What are the key properties of diethyl 1,1-dioxothiolane-2,3-dicarboxylate?
diethyl 1,1-dioxothiolane-2,3-dicarboxylate has a molecular weight of 264.30 g/mol, XLogP of -0.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 1,1-dioxothiolane-2,3-dicarboxylate is sourced from PubChem (CID 123598978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).