ethyl (4-oxothiolan-3-yl) carbonate

C7H10O4S — CID 70535288

IUPACethyl (4-oxothiolan-3-yl) carbonate
SMILESCCOC(=O)OC1CSCC1=O
InChIInChI=1S/C7H10O4S/c1-2-10-7(9)11-6-4-12-3-5(6)8/h6H,2-4H2,1H3
InChIKeyBWPCSKRUBRLYEX-UHFFFAOYSA-N
MW190.22 g/mol
LogP0.84
Rot. Bonds2

About ethyl (4-oxothiolan-3-yl) carbonate

ethyl (4-oxothiolan-3-yl) carbonate (PubChem CID 70535288) has the molecular formula C7H10O4S and a molecular weight of 190.22 g/mol. Its IUPAC name is ethyl (4-oxothiolan-3-yl) carbonate.

Molecular Properties

Compound Nameethyl (4-oxothiolan-3-yl) carbonate
PubChem CID70535288
Molecular FormulaC7H10O4S
Molecular Weight190.22 g/mol
Exact Mass190.03
IUPAC Nameethyl (4-oxothiolan-3-yl) carbonate
SMILESCCOC(=O)OC1CSCC1=O
InChIInChI=1S/C7H10O4S/c1-2-10-7(9)11-6-4-12-3-5(6)8/h6H,2-4H2,1H3
InChIKeyBWPCSKRUBRLYEX-UHFFFAOYSA-N
XLogP0.84
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl (4-oxothiolan-3-yl) carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R,8S)-8-ethoxycarbonyloxy-14,16-dihydroxy-13-methyl-7,11-dioxo-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxylic acid
CID 54201255
ethyl [2,3,4,5-tetrakis(ethoxycarbonyloxy)-6-methoxycyclohexyl] carbonate
CID 118203008
[(1S,4R)-4-ethoxycarbonyloxycyclopent-2-en-1-yl] ethyl carbonate
CID 10514412
CID 175796855
CID 175796855
ethyl [(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] carbonate
CID 135315960
ethyl 2-oxo-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazole-3-carboxylate
CID 130024093
ethyl (1R,5S,6S)-4-oxo-2-thiabicyclo[3.1.0]hexane-6-carboxylate
CID 10487788
acetylene;diethyl carbonate
CID 87073597
magnesium;diethyl carbonate;hydride
CID 173249173
[(1R,2S)-2-aminocyclohexyl] ethyl carbonate
CID 70041811
[2,4-bis(ethoxycarbonyloxy)cyclohexyl] ethyl carbonate
CID 23066426
potassium;ethyl N-ethoxycarbonyliminocarbamate;bromide
CID 173295578

Frequently Asked Questions

What is the IUPAC name of ethyl (4-oxothiolan-3-yl) carbonate?
The IUPAC name of ethyl (4-oxothiolan-3-yl) carbonate (CID 70535288) is ethyl (4-oxothiolan-3-yl) carbonate.
What is the SMILES notation for ethyl (4-oxothiolan-3-yl) carbonate?
The canonical SMILES for ethyl (4-oxothiolan-3-yl) carbonate is CCOC(=O)OC1CSCC1=O.
What is the InChIKey of ethyl (4-oxothiolan-3-yl) carbonate?
The InChIKey is BWPCSKRUBRLYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4S/c1-2-10-7(9)11-6-4-12-3-5(6)8/h6H,2-4H2,1H3.
What are the key properties of ethyl (4-oxothiolan-3-yl) carbonate?
ethyl (4-oxothiolan-3-yl) carbonate has a molecular weight of 190.22 g/mol, XLogP of 0.84, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4-oxothiolan-3-yl) carbonate is sourced from PubChem (CID 70535288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).