ethyl sulfino carbonate

C3H6O5S — CID 57236503

IUPACethyl sulfino carbonate
SMILESCCOC(=O)OS(=O)O
InChIInChI=1S/C3H6O5S/c1-2-7-3(4)8-9(5)6/h2H2,1H3,(H,5,6)
InChIKeyNOQNNKSPTYLITH-UHFFFAOYSA-N
MW154.14 g/mol
LogP0.30
Rot. Bonds2

About ethyl sulfino carbonate

ethyl sulfino carbonate (PubChem CID 57236503) has the molecular formula C3H6O5S and a molecular weight of 154.14 g/mol. Its IUPAC name is ethyl sulfino carbonate.

Molecular Properties

Compound Nameethyl sulfino carbonate
PubChem CID57236503
Molecular FormulaC3H6O5S
Molecular Weight154.14 g/mol
Exact Mass153.99
IUPAC Nameethyl sulfino carbonate
SMILESCCOC(=O)OS(=O)O
InChIInChI=1S/C3H6O5S/c1-2-7-3(4)8-9(5)6/h2H2,1H3,(H,5,6)
InChIKeyNOQNNKSPTYLITH-UHFFFAOYSA-N
XLogP0.30
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.14
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 175796855
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CID 19764063
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ethyl fluoro carbonate
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ethyl 2-methyl-2-sulfinooxypropanoate
CID 118684426
sodium;ethyl acetate;hydrogen sulfite
CID 174398967
sulfino 3-methylbutanoate
CID 91281138
ethoxycarbonyl (2S)-2-aminopropanoate
CID 57068155
amino ethyl carbonate;ethanol
CID 158439485
CID 175269376
CID 175269376

Frequently Asked Questions

What is the IUPAC name of ethyl sulfino carbonate?
The IUPAC name of ethyl sulfino carbonate (CID 57236503) is ethyl sulfino carbonate.
What is the SMILES notation for ethyl sulfino carbonate?
The canonical SMILES for ethyl sulfino carbonate is CCOC(=O)OS(=O)O.
What is the InChIKey of ethyl sulfino carbonate?
The InChIKey is NOQNNKSPTYLITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O5S/c1-2-7-3(4)8-9(5)6/h2H2,1H3,(H,5,6).
What are the key properties of ethyl sulfino carbonate?
ethyl sulfino carbonate has a molecular weight of 154.14 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl sulfino carbonate is sourced from PubChem (CID 57236503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).