(1,1-dioxothiolan-3-yl) methyl carbonate

C6H10O5S — CID 2831191

IUPAC(1,1-dioxothiolan-3-yl) methyl carbonate
SMILESCOC(=O)OC1CCS(=O)(=O)C1
InChIInChI=1S/C6H10O5S/c1-10-6(7)11-5-2-3-12(8,9)4-5/h5H,2-4H2,1H3
InChIKeyPOARBKMKOOOSMM-UHFFFAOYSA-N
MW194.21 g/mol
LogP-0.04
Rot. Bonds1

About (1,1-dioxothiolan-3-yl) methyl carbonate

(1,1-dioxothiolan-3-yl) methyl carbonate (PubChem CID 2831191) has the molecular formula C6H10O5S and a molecular weight of 194.21 g/mol. Its IUPAC name is (1,1-dioxothiolan-3-yl) methyl carbonate.

Molecular Properties

Compound Name(1,1-dioxothiolan-3-yl) methyl carbonate
PubChem CID2831191
Molecular FormulaC6H10O5S
Molecular Weight194.21 g/mol
Exact Mass194.02
IUPAC Name(1,1-dioxothiolan-3-yl) methyl carbonate
SMILESCOC(=O)OC1CCS(=O)(=O)C1
InChIInChI=1S/C6H10O5S/c1-10-6(7)11-5-2-3-12(8,9)4-5/h5H,2-4H2,1H3
InChIKeyPOARBKMKOOOSMM-UHFFFAOYSA-N
XLogP-0.04
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1,1-dioxothiolan-3-yl) methyl carbonate?
The IUPAC name of (1,1-dioxothiolan-3-yl) methyl carbonate (CID 2831191) is (1,1-dioxothiolan-3-yl) methyl carbonate.
What is the SMILES notation for (1,1-dioxothiolan-3-yl) methyl carbonate?
The canonical SMILES for (1,1-dioxothiolan-3-yl) methyl carbonate is COC(=O)OC1CCS(=O)(=O)C1.
What is the InChIKey of (1,1-dioxothiolan-3-yl) methyl carbonate?
The InChIKey is POARBKMKOOOSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O5S/c1-10-6(7)11-5-2-3-12(8,9)4-5/h5H,2-4H2,1H3.
What are the key properties of (1,1-dioxothiolan-3-yl) methyl carbonate?
(1,1-dioxothiolan-3-yl) methyl carbonate has a molecular weight of 194.21 g/mol, XLogP of -0.04, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxothiolan-3-yl) methyl carbonate is sourced from PubChem (CID 2831191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).