2-(2-ethylhexoxy)ethanethioamide

C10H21NOS — CID 43128235

IUPAC2-(2-ethylhexoxy)ethanethioamide
SMILESCCCCC(CC)COCC(N)=S
InChIInChI=1S/C10H21NOS/c1-3-5-6-9(4-2)7-12-8-10(11)13/h9H,3-8H2,1-2H3,(H2,11,13)
InChIKeyMRSJWGPIDHQLFP-UHFFFAOYSA-N
MW203.35 g/mol
LogP2.51
Rot. Bonds8

About 2-(2-ethylhexoxy)ethanethioamide

2-(2-ethylhexoxy)ethanethioamide (PubChem CID 43128235) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 2-(2-ethylhexoxy)ethanethioamide.

Molecular Properties

Compound Name2-(2-ethylhexoxy)ethanethioamide
PubChem CID43128235
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name2-(2-ethylhexoxy)ethanethioamide
SMILESCCCCC(CC)COCC(N)=S
InChIInChI=1S/C10H21NOS/c1-3-5-6-9(4-2)7-12-8-10(11)13/h9H,3-8H2,1-2H3,(H2,11,13)
InChIKeyMRSJWGPIDHQLFP-UHFFFAOYSA-N
XLogP2.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-ethylhexoxy)-2-methylpropanethioamide
CID 43175349
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
2-(2-ethylhexoxy)acetic acid
CID 11651287
3-(2-ethylhexoxymethyl)heptane;titanium
CID 87161815
2-ethylhexoxymethanol
CID 18783221
1-(2-ethylhexoxy)-3-methylbutan-2-one
CID 79396410
2-[2-[2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 86129872
CID 88753128
CID 88753128
3-(2-ethylhexoxymethyl)heptane;sulfuric acid
CID 158892340
(2S)-1-amino-3-[(2S)-2-ethylhexoxy]propan-2-ol
CID 29000840
7-(2-ethylhexoxymethyl)pentadecane
CID 134599291
1-[4-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]butoxy]dodecane
CID 129302674

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexoxy)ethanethioamide?
The IUPAC name of 2-(2-ethylhexoxy)ethanethioamide (CID 43128235) is 2-(2-ethylhexoxy)ethanethioamide.
What is the SMILES notation for 2-(2-ethylhexoxy)ethanethioamide?
The canonical SMILES for 2-(2-ethylhexoxy)ethanethioamide is CCCCC(CC)COCC(N)=S.
What is the InChIKey of 2-(2-ethylhexoxy)ethanethioamide?
The InChIKey is MRSJWGPIDHQLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-3-5-6-9(4-2)7-12-8-10(11)13/h9H,3-8H2,1-2H3,(H2,11,13).
What are the key properties of 2-(2-ethylhexoxy)ethanethioamide?
2-(2-ethylhexoxy)ethanethioamide has a molecular weight of 203.35 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexoxy)ethanethioamide is sourced from PubChem (CID 43128235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).