2-ethylsulfanylethyl cyanate

C5H9NOS — CID 23331214

IUPAC2-ethylsulfanylethyl cyanate
SMILESCCSCCOC#N
InChIInChI=1S/C5H9NOS/c1-2-8-4-3-7-5-6/h2-4H2,1H3
InChIKeyCESNMFAGJQKRGX-UHFFFAOYSA-N
MW131.20 g/mol
LogP1.24
Rot. Bonds4

About 2-ethylsulfanylethyl cyanate

2-ethylsulfanylethyl cyanate (PubChem CID 23331214) has the molecular formula C5H9NOS and a molecular weight of 131.20 g/mol. Its IUPAC name is 2-ethylsulfanylethyl cyanate.

Molecular Properties

Compound Name2-ethylsulfanylethyl cyanate
PubChem CID23331214
Molecular FormulaC5H9NOS
Molecular Weight131.20 g/mol
Exact Mass131.04
IUPAC Name2-ethylsulfanylethyl cyanate
SMILESCCSCCOC#N
InChIInChI=1S/C5H9NOS/c1-2-8-4-3-7-5-6/h2-4H2,1H3
InChIKeyCESNMFAGJQKRGX-UHFFFAOYSA-N
XLogP1.24
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.20
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

ethane;3-ethylsulfanylpropanenitrile
CID 142187539
1-ethylsulfanyl-2-[2-[2-(2-ethylsulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethane
CID 121008102
bicyclo[2.2.0]hexa-1,3,5-triene;butyl cyanate
CID 175306715
2-[3-(2-isocyanatoethylsulfanyl)-2-(2-isocyanatoethylsulfanylmethyl)propyl]sulfanylethyl cyanate
CID 159541871
ethyl cyanate;methane
CID 157371162
2-cyanato-4-ethylsulfanylbutanoic acid
CID 146514055
2-(2-butoxyethoxy)ethyl cyanate
CID 141333392
2-ethylsulfanylethyl ethanesulfonate
CID 139906268
tris[2-(2-ethylsulfanylethoxy)ethyl] borate
CID 11812524
5-bromo-2-(2-ethylsulfanylethoxy)benzonitrile
CID 115694765
4-ethylsulfanyl-2-(2-methoxyethylamino)butanenitrile
CID 116504313
2-ethylsulfanylethoxy-hydroxy-methyl-sulfanylidene-λ5-phosphane
CID 154166943

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanylethyl cyanate?
The IUPAC name of 2-ethylsulfanylethyl cyanate (CID 23331214) is 2-ethylsulfanylethyl cyanate.
What is the SMILES notation for 2-ethylsulfanylethyl cyanate?
The canonical SMILES for 2-ethylsulfanylethyl cyanate is CCSCCOC#N.
What is the InChIKey of 2-ethylsulfanylethyl cyanate?
The InChIKey is CESNMFAGJQKRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NOS/c1-2-8-4-3-7-5-6/h2-4H2,1H3.
What are the key properties of 2-ethylsulfanylethyl cyanate?
2-ethylsulfanylethyl cyanate has a molecular weight of 131.20 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanylethyl cyanate is sourced from PubChem (CID 23331214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).