prop-2-enyl 2-sulfanylethylsulfanylformate

C6H10O2S2 — CID 89274909

IUPACprop-2-enyl 2-sulfanylethylsulfanylformate
SMILESC=CCOC(=O)SCCS
InChIInChI=1S/C6H10O2S2/c1-2-3-8-6(7)10-5-4-9/h2,9H,1,3-5H2
InChIKeyNQGMSVQRXQVSSV-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.97
Rot. Bonds4

About prop-2-enyl 2-sulfanylethylsulfanylformate

prop-2-enyl 2-sulfanylethylsulfanylformate (PubChem CID 89274909) has the molecular formula C6H10O2S2 and a molecular weight of 178.28 g/mol. Its IUPAC name is prop-2-enyl 2-sulfanylethylsulfanylformate.

Molecular Properties

Compound Nameprop-2-enyl 2-sulfanylethylsulfanylformate
PubChem CID89274909
Molecular FormulaC6H10O2S2
Molecular Weight178.28 g/mol
Exact Mass178.01
IUPAC Nameprop-2-enyl 2-sulfanylethylsulfanylformate
SMILESC=CCOC(=O)SCCS
InChIInChI=1S/C6H10O2S2/c1-2-3-8-6(7)10-5-4-9/h2,9H,1,3-5H2
InChIKeyNQGMSVQRXQVSSV-UHFFFAOYSA-N
XLogP1.97
TPSA26.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

[(1S)-1-fluoroprop-2-enyl] [(1S)-1-fluoroprop-2-enyl]sulfanylformate
CID 89415733
Prop-2-enyl 2-(2-prop-2-enoxycarbonylsulfanylethylsulfanyl)ethylsulfanylformate
CID 10969341
Prop-2-enyl ethylsulfanylcarbothioylsulfanylformate
CID 20252473
Prop-2-enyl 2-methylsulfanylacetate
CID 21344081
Bis(1-sulfanylprop-2-enyl) carbonate
CID 87084585
Prop-2-enyl prop-2-enylsulfanylformate
CID 87499921
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
1-Methylsulfanylprop-2-enyl acetate
CID 88698463
Prop-2-enyl 2-(2-prop-2-enoxycarbonylsulfanylethylsulfanylcarbothioyloxy)ethylsulfanylformate
CID 91195344
Prop-2-enyl ethylsulfanylformate
CID 117791541

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-sulfanylethylsulfanylformate?
The IUPAC name of prop-2-enyl 2-sulfanylethylsulfanylformate (CID 89274909) is prop-2-enyl 2-sulfanylethylsulfanylformate.
What is the SMILES notation for prop-2-enyl 2-sulfanylethylsulfanylformate?
The canonical SMILES for prop-2-enyl 2-sulfanylethylsulfanylformate is C=CCOC(=O)SCCS.
What is the InChIKey of prop-2-enyl 2-sulfanylethylsulfanylformate?
The InChIKey is NQGMSVQRXQVSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2S2/c1-2-3-8-6(7)10-5-4-9/h2,9H,1,3-5H2.
What are the key properties of prop-2-enyl 2-sulfanylethylsulfanylformate?
prop-2-enyl 2-sulfanylethylsulfanylformate has a molecular weight of 178.28 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-sulfanylethylsulfanylformate is sourced from PubChem (CID 89274909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).