O-(3-ethanethioyloxypropyl) ethanethioate

C7H12O2S2 — CID 15121040

IUPACO-(3-ethanethioyloxypropyl) ethanethioate
SMILESCC(=S)OCCCOC(C)=S
InChIInChI=1S/C7H12O2S2/c1-6(10)8-4-3-5-9-7(2)11/h3-5H2,1-2H3
InChIKeyXFCJKZWVUKZNGP-UHFFFAOYSA-N
MW192.30 g/mol
LogP2.10
Rot. Bonds4

About O-(3-ethanethioyloxypropyl) ethanethioate

O-(3-ethanethioyloxypropyl) ethanethioate (PubChem CID 15121040) has the molecular formula C7H12O2S2 and a molecular weight of 192.30 g/mol. Its IUPAC name is O-(3-ethanethioyloxypropyl) ethanethioate.

Molecular Properties

Compound NameO-(3-ethanethioyloxypropyl) ethanethioate
PubChem CID15121040
Molecular FormulaC7H12O2S2
Molecular Weight192.30 g/mol
Exact Mass192.03
IUPAC NameO-(3-ethanethioyloxypropyl) ethanethioate
SMILESCC(=S)OCCCOC(C)=S
InChIInChI=1S/C7H12O2S2/c1-6(10)8-4-3-5-9-7(2)11/h3-5H2,1-2H3
InChIKeyXFCJKZWVUKZNGP-UHFFFAOYSA-N
XLogP2.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

O-tridecyl ethanethioate
CID 140979354
O-(4-bromobutyl) ethanethioate
CID 141465148
O-(2-ethenoxyethyl) ethanethioate
CID 139637370
O-(iodomethyl) ethanethioate
CID 141477930
CID 134873473
CID 134873473
O-[2-[methoxy(dimethyl)silyl]ethyl] ethanethioate
CID 86585691
1,3-bis(prop-1-en-2-yloxy)propane;methane
CID 162270596
O-[2-[diethoxy(methyl)silyl]ethyl] ethanethioate
CID 57259196
[acetyloxy-(2-ethanethioyloxyethyl)-methylsilyl] acetate
CID 57169176
11-acetyloxyundecyl acetate
CID 87784419
magnesium;bis(O-butyl carbamothioate);hydride
CID 173071453
lithium;bis(O-butyl carbamothioate);hydride
CID 175317253

Frequently Asked Questions

What is the IUPAC name of O-(3-ethanethioyloxypropyl) ethanethioate?
The IUPAC name of O-(3-ethanethioyloxypropyl) ethanethioate (CID 15121040) is O-(3-ethanethioyloxypropyl) ethanethioate.
What is the SMILES notation for O-(3-ethanethioyloxypropyl) ethanethioate?
The canonical SMILES for O-(3-ethanethioyloxypropyl) ethanethioate is CC(=S)OCCCOC(C)=S.
What is the InChIKey of O-(3-ethanethioyloxypropyl) ethanethioate?
The InChIKey is XFCJKZWVUKZNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2S2/c1-6(10)8-4-3-5-9-7(2)11/h3-5H2,1-2H3.
What are the key properties of O-(3-ethanethioyloxypropyl) ethanethioate?
O-(3-ethanethioyloxypropyl) ethanethioate has a molecular weight of 192.30 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-(3-ethanethioyloxypropyl) ethanethioate is sourced from PubChem (CID 15121040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).