ethyl hydrogen carbonate;sulfane

C3H8O3S — CID 174718172

IUPACethyl hydrogen carbonate;sulfane
SMILESCCOC(=O)O.S
InChIInChI=1S/C3H6O3.H2S/c1-2-6-3(4)5;/h2H2,1H3,(H,4,5);1H2
InChIKeyAYAKBMSAQGHLLO-UHFFFAOYSA-N
MW124.16 g/mol
LogP0.81
Rot. Bonds1

About ethyl hydrogen carbonate;sulfane

ethyl hydrogen carbonate;sulfane (PubChem CID 174718172) has the molecular formula C3H8O3S and a molecular weight of 124.16 g/mol. Its IUPAC name is ethyl hydrogen carbonate;sulfane.

Molecular Properties

Compound Nameethyl hydrogen carbonate;sulfane
PubChem CID174718172
Molecular FormulaC3H8O3S
Molecular Weight124.16 g/mol
Exact Mass124.02
IUPAC Nameethyl hydrogen carbonate;sulfane
SMILESCCOC(=O)O.S
InChIInChI=1S/C3H6O3.H2S/c1-2-6-3(4)5;/h2H2,1H3,(H,4,5);1H2
InChIKeyAYAKBMSAQGHLLO-UHFFFAOYSA-N
XLogP0.81
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.16
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 131876272
ethyl hydrogen carbonate;thiocyanic acid
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ethyl acetate;ethyl hydrogen carbonate;propan-2-ol
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ethyl hydrogen carbonate;piperidine
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CID 157409555
CID 157409555
ethyl carbamate
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ethyl carbamate
CID 21202847
ethyl carbamate
CID 158786750
CID 175796855
CID 175796855
CID 159370772
CID 159370772
triamino(ethoxycarbonyl)azanium
CID 91486917
acetic acid;azane;ethyl acetate
CID 25050725

Frequently Asked Questions

What is the IUPAC name of ethyl hydrogen carbonate;sulfane?
The IUPAC name of ethyl hydrogen carbonate;sulfane (CID 174718172) is ethyl hydrogen carbonate;sulfane.
What is the SMILES notation for ethyl hydrogen carbonate;sulfane?
The canonical SMILES for ethyl hydrogen carbonate;sulfane is CCOC(=O)O.S.
What is the InChIKey of ethyl hydrogen carbonate;sulfane?
The InChIKey is AYAKBMSAQGHLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O3.H2S/c1-2-6-3(4)5;/h2H2,1H3,(H,4,5);1H2.
What are the key properties of ethyl hydrogen carbonate;sulfane?
ethyl hydrogen carbonate;sulfane has a molecular weight of 124.16 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl hydrogen carbonate;sulfane is sourced from PubChem (CID 174718172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).