O-(2-ethenoxyethyl) ethanethioate

C6H10O2S — CID 139637370

IUPACO-(2-ethenoxyethyl) ethanethioate
SMILESC=COCCOC(C)=S
InChIInChI=1S/C6H10O2S/c1-3-7-4-5-8-6(2)9/h3H,1,4-5H2,2H3
InChIKeyKXTQJRYHISNWFO-UHFFFAOYSA-N
MW146.21 g/mol
LogP1.51
Rot. Bonds4

About O-(2-ethenoxyethyl) ethanethioate

O-(2-ethenoxyethyl) ethanethioate (PubChem CID 139637370) has the molecular formula C6H10O2S and a molecular weight of 146.21 g/mol. Its IUPAC name is O-(2-ethenoxyethyl) ethanethioate.

Molecular Properties

Compound NameO-(2-ethenoxyethyl) ethanethioate
PubChem CID139637370
Molecular FormulaC6H10O2S
Molecular Weight146.21 g/mol
Exact Mass146.04
IUPAC NameO-(2-ethenoxyethyl) ethanethioate
SMILESC=COCCOC(C)=S
InChIInChI=1S/C6H10O2S/c1-3-7-4-5-8-6(2)9/h3H,1,4-5H2,2H3
InChIKeyKXTQJRYHISNWFO-UHFFFAOYSA-N
XLogP1.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

O-(2-ethenoxyethyl) 2-methylprop-2-enethioate
CID 139619675
2-ethenoxyethyl 2-methylprop-2-enoate
CID 15105
2-ethenoxyethyl 3-oxobutanoate
CID 23370733
O-(3-ethanethioyloxypropyl) ethanethioate
CID 15121040
1-ethenoxy-2-methoxyethane
CID 15457
ethanol;1-ethenoxy-2-(2-ethenoxyethoxy)ethane
CID 174885863
1-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethane
CID 139860327
2-(2-ethenoxyethoxy)ethyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 175561109
1,2-bis(ethenoxy)ethane;2-methylbut-2-enoic acid
CID 174797492
N-(2-ethenoxyethoxy)methanamine
CID 59596547
2-ethenoxyethyl 2,2-dimethylbutanoate
CID 21026949
(E)-4-(2-ethenoxyethoxy)-4-oxobut-2-enoic acid
CID 139924951

Frequently Asked Questions

What is the IUPAC name of O-(2-ethenoxyethyl) ethanethioate?
The IUPAC name of O-(2-ethenoxyethyl) ethanethioate (CID 139637370) is O-(2-ethenoxyethyl) ethanethioate.
What is the SMILES notation for O-(2-ethenoxyethyl) ethanethioate?
The canonical SMILES for O-(2-ethenoxyethyl) ethanethioate is C=COCCOC(C)=S.
What is the InChIKey of O-(2-ethenoxyethyl) ethanethioate?
The InChIKey is KXTQJRYHISNWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2S/c1-3-7-4-5-8-6(2)9/h3H,1,4-5H2,2H3.
What are the key properties of O-(2-ethenoxyethyl) ethanethioate?
O-(2-ethenoxyethyl) ethanethioate has a molecular weight of 146.21 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-(2-ethenoxyethyl) ethanethioate is sourced from PubChem (CID 139637370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).