O-ethyl ethylselanylmethanethioate

C5H10OSSe — CID 86110512

IUPACO-ethyl ethylselanylmethanethioate
SMILESCCOC(=S)[Se]CC
InChIInChI=1S/C5H10OSSe/c1-3-6-5(7)8-4-2/h3-4H2,1-2H3
InChIKeyCWHHJRCOIGRKPC-UHFFFAOYSA-N
MW197.16 g/mol
LogP1.45
Rot. Bonds3

About O-ethyl ethylselanylmethanethioate

O-ethyl ethylselanylmethanethioate (PubChem CID 86110512) has the molecular formula C5H10OSSe and a molecular weight of 197.16 g/mol. Its IUPAC name is O-ethyl ethylselanylmethanethioate.

Molecular Properties

Compound NameO-ethyl ethylselanylmethanethioate
PubChem CID86110512
Molecular FormulaC5H10OSSe
Molecular Weight197.16 g/mol
Exact Mass197.96
IUPAC NameO-ethyl ethylselanylmethanethioate
SMILESCCOC(=S)[Se]CC
InChIInChI=1S/C5H10OSSe/c1-3-6-5(7)8-4-2/h3-4H2,1-2H3
InChIKeyCWHHJRCOIGRKPC-UHFFFAOYSA-N
XLogP1.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethoxymethanedithioic acid
CID 8823
tribromo(2,2-diethoxyethenyl)germane
CID 13211555
CID 131880811
CID 131880811
ethoxymethanedithioic acid;nickel
CID 54611890
lithium ethoxymethanedithioate
CID 23681493
tetrakis(ethoxymethanedithioic acid);sulfane
CID 173034920
chromium(3+);tris(ethoxymethanedithioate)
CID 18626808
bis(ethoxymethanedithioic acid);sulfane
CID 88801631
O-ethyl 2-sulfanylidenepropanethioate
CID 54248327
bis(ethoxymethanedithioate);palladium(2+)
CID 15779435
bis(ethoxymethanedithioic acid);ruthenium(2+)
CID 50910321
tris(ethoxymethanedithioate);nickel(3+)
CID 135393664

Frequently Asked Questions

What is the IUPAC name of O-ethyl ethylselanylmethanethioate?
The IUPAC name of O-ethyl ethylselanylmethanethioate (CID 86110512) is O-ethyl ethylselanylmethanethioate.
What is the SMILES notation for O-ethyl ethylselanylmethanethioate?
The canonical SMILES for O-ethyl ethylselanylmethanethioate is CCOC(=S)[Se]CC.
What is the InChIKey of O-ethyl ethylselanylmethanethioate?
The InChIKey is CWHHJRCOIGRKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10OSSe/c1-3-6-5(7)8-4-2/h3-4H2,1-2H3.
What are the key properties of O-ethyl ethylselanylmethanethioate?
O-ethyl ethylselanylmethanethioate has a molecular weight of 197.16 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-ethyl ethylselanylmethanethioate is sourced from PubChem (CID 86110512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).