prop-2-enyl prop-2-enylsulfanylformate

C7H10O2S — CID 87499921

IUPACprop-2-enyl prop-2-enylsulfanylformate
SMILESC=CCOC(=O)SCC=C
InChIInChI=1S/C7H10O2S/c1-3-5-9-7(8)10-6-4-2/h3-4H,1-2,5-6H2
InChIKeyZMXHZOGFNRHBBK-UHFFFAOYSA-N
MW158.22 g/mol
LogP2.23
Rot. Bonds4

About prop-2-enyl prop-2-enylsulfanylformate

prop-2-enyl prop-2-enylsulfanylformate (PubChem CID 87499921) has the molecular formula C7H10O2S and a molecular weight of 158.22 g/mol. Its IUPAC name is prop-2-enyl prop-2-enylsulfanylformate.

Molecular Properties

Compound Nameprop-2-enyl prop-2-enylsulfanylformate
PubChem CID87499921
Molecular FormulaC7H10O2S
Molecular Weight158.22 g/mol
Exact Mass158.04
IUPAC Nameprop-2-enyl prop-2-enylsulfanylformate
SMILESC=CCOC(=O)SCC=C
InChIInChI=1S/C7H10O2S/c1-3-5-9-7(8)10-6-4-2/h3-4H,1-2,5-6H2
InChIKeyZMXHZOGFNRHBBK-UHFFFAOYSA-N
XLogP2.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 52.23
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

Diallyl thiodiacetate
CID 22740
[(1S)-1-fluoroprop-2-enyl] [(1S)-1-fluoroprop-2-enyl]sulfanylformate
CID 89415733
Prop-2-enyl 2-(2-prop-2-enoxycarbonylsulfanylethylsulfanyl)ethylsulfanylformate
CID 10969341
Ethyl prop-2-enylsulfanylformate
CID 14740474
3-Methoxy-3-methylsulfanylprop-1-ene
CID 18720097
Prop-2-enyl ethylsulfanylcarbothioylsulfanylformate
CID 20252473
Prop-2-enyl 2-methylsulfanylacetate
CID 21344081
Prop-2-EN-1-YL 3-(methylsulfanyl)propanoate
CID 60089995
Prop-2-enyl prop-2-enylsulfonylformate
CID 87548904
Prop-2-enyl 2-(2-prop-2-enoxycarbonylsulfanylethylsulfanylcarbonylsulfanyl)ethylsulfanylformate
CID 87669084
2-Prop-2-enoxycarbonylsulfanylethoxymethanedithioic acid
CID 87669085
2-prop-2-enoxycarbonylsulfanylethylsulfanylmethanethioic S-acid
CID 87669086

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl prop-2-enylsulfanylformate?
The IUPAC name of prop-2-enyl prop-2-enylsulfanylformate (CID 87499921) is prop-2-enyl prop-2-enylsulfanylformate.
What is the SMILES notation for prop-2-enyl prop-2-enylsulfanylformate?
The canonical SMILES for prop-2-enyl prop-2-enylsulfanylformate is C=CCOC(=O)SCC=C.
What is the InChIKey of prop-2-enyl prop-2-enylsulfanylformate?
The InChIKey is ZMXHZOGFNRHBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2S/c1-3-5-9-7(8)10-6-4-2/h3-4H,1-2,5-6H2.
What are the key properties of prop-2-enyl prop-2-enylsulfanylformate?
prop-2-enyl prop-2-enylsulfanylformate has a molecular weight of 158.22 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl prop-2-enylsulfanylformate is sourced from PubChem (CID 87499921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).