ethyl prop-2-enylsulfanylformate

C6H10O2S — CID 14740474

IUPACethyl prop-2-enylsulfanylformate
SMILESC=CCSC(=O)OCC
InChIInChI=1S/C6H10O2S/c1-3-5-9-6(7)8-4-2/h3H,1,4-5H2,2H3
InChIKeyWSYVDBITQGWPTC-UHFFFAOYSA-N
MW146.21 g/mol
LogP2.06
Rot. Bonds3

About ethyl prop-2-enylsulfanylformate

ethyl prop-2-enylsulfanylformate (PubChem CID 14740474) has the molecular formula C6H10O2S and a molecular weight of 146.21 g/mol. Its IUPAC name is ethyl prop-2-enylsulfanylformate.

Molecular Properties

Compound Nameethyl prop-2-enylsulfanylformate
PubChem CID14740474
Molecular FormulaC6H10O2S
Molecular Weight146.21 g/mol
Exact Mass146.04
IUPAC Nameethyl prop-2-enylsulfanylformate
SMILESC=CCSC(=O)OCC
InChIInChI=1S/C6H10O2S/c1-3-5-9-6(7)8-4-2/h3H,1,4-5H2,2H3
InChIKeyWSYVDBITQGWPTC-UHFFFAOYSA-N
XLogP2.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methyl allylthioacetate
CID 144567
Ethyl [(prop-2-en-1-yl)sulfanyl]acetate
CID 12717294
O-Ethyl S-(3-methylbut-2-en-1-yl)thiocarbonate
CID 138455003
Ethyl prop-2-enylsulfanylcarbothioylsulfanylformate
CID 20252469
[(E)-3-methylsulfanylprop-1-enyl] acetate
CID 21286967
Ethenyl propylsulfanylformate
CID 54398583
1-Acetoxy-3-methylthiopropene
CID 54439354
3-Methylsulfanylprop-1-enyl propanoate
CID 54472009
zinc;ethoxymethanone;2H-thiophen-2-ide;hydrobromide
CID 87400704
Prop-2-enyl prop-2-enylsulfanylformate
CID 87499921
1-Prop-2-enylsulfanylethyl hydrogen carbonate
CID 87917781
[(Z)-3-methylsulfanylprop-1-enyl] propanoate
CID 88643795

Frequently Asked Questions

What is the IUPAC name of ethyl prop-2-enylsulfanylformate?
The IUPAC name of ethyl prop-2-enylsulfanylformate (CID 14740474) is ethyl prop-2-enylsulfanylformate.
What is the SMILES notation for ethyl prop-2-enylsulfanylformate?
The canonical SMILES for ethyl prop-2-enylsulfanylformate is C=CCSC(=O)OCC.
What is the InChIKey of ethyl prop-2-enylsulfanylformate?
The InChIKey is WSYVDBITQGWPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2S/c1-3-5-9-6(7)8-4-2/h3H,1,4-5H2,2H3.
What are the key properties of ethyl prop-2-enylsulfanylformate?
ethyl prop-2-enylsulfanylformate has a molecular weight of 146.21 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl prop-2-enylsulfanylformate is sourced from PubChem (CID 14740474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).