1-ethylsulfanylethenolate

C4H7OS- — CID 101161982

IUPAC1-ethylsulfanylethenolate
SMILESC=C([O-])SCC
InChIInChI=1S/C4H8OS/c1-3-6-4(2)5/h5H,2-3H2,1H3/p-1
InChIKeySONXPTKHKKDREY-UHFFFAOYSA-M
MW103.17 g/mol
LogP0.57
Rot. Bonds2

About 1-ethylsulfanylethenolate

1-ethylsulfanylethenolate (PubChem CID 101161982) has the molecular formula C4H7OS- and a molecular weight of 103.17 g/mol. Its IUPAC name is 1-ethylsulfanylethenolate.

Molecular Properties

Compound Name1-ethylsulfanylethenolate
PubChem CID101161982
Molecular FormulaC4H7OS-
Molecular Weight103.17 g/mol
Exact Mass103.02
IUPAC Name1-ethylsulfanylethenolate
SMILESC=C([O-])SCC
InChIInChI=1S/C4H8OS/c1-3-6-4(2)5/h5H,2-3H2,1H3/p-1
InChIKeySONXPTKHKKDREY-UHFFFAOYSA-M
XLogP0.57
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.17
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 12591357
CID 12591357
2-ethylsulfanylprop-2-enyl-oxido-oxophosphanium
CID 20532262
2-ethylsulfanyl-4-methylsulfanylbut-1-ene
CID 154181892
N,N-diethylbut-1-en-2-amine oxide
CID 174299864
(3E)-4-chloro-2-ethylsulfanylpenta-1,3-diene
CID 142053852
methyl 2-ethylsulfanylprop-2-enoate
CID 14912192
methyl 2-ethylsulfanyl-N-methylprop-2-enimidothioate
CID 4059466
[amino(ethylsulfanyl)methylidene]azanium
CID 5048191
S-ethyl carbamothioate
CID 12673087
(3Z)-4-ethylsulfanylpenta-1,3-diene
CID 143409580
bis(2-methylprop-1-ene);propane
CID 159493997
potassium 2-methylidenebutanoate
CID 87611079

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanylethenolate?
The IUPAC name of 1-ethylsulfanylethenolate (CID 101161982) is 1-ethylsulfanylethenolate.
What is the SMILES notation for 1-ethylsulfanylethenolate?
The canonical SMILES for 1-ethylsulfanylethenolate is C=C([O-])SCC.
What is the InChIKey of 1-ethylsulfanylethenolate?
The InChIKey is SONXPTKHKKDREY-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H8OS/c1-3-6-4(2)5/h5H,2-3H2,1H3/p-1.
What are the key properties of 1-ethylsulfanylethenolate?
1-ethylsulfanylethenolate has a molecular weight of 103.17 g/mol, XLogP of 0.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanylethenolate is sourced from PubChem (CID 101161982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).