N-(2-hydroxyethyl)ethanethioamide

C4H9NOS — CID 20646760

IUPACN-(2-hydroxyethyl)ethanethioamide
SMILESCC(=S)NCCO
InChIInChI=1S/C4H9NOS/c1-4(7)5-2-3-6/h6H,2-3H2,1H3,(H,5,7)
InChIKeyVEARWWYJZXJJSE-UHFFFAOYSA-N
MW119.19 g/mol
LogP-0.08
Rot. Bonds2

About N-(2-hydroxyethyl)ethanethioamide

N-(2-hydroxyethyl)ethanethioamide (PubChem CID 20646760) has the molecular formula C4H9NOS and a molecular weight of 119.19 g/mol. Its IUPAC name is N-(2-hydroxyethyl)ethanethioamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)ethanethioamide
PubChem CID20646760
Molecular FormulaC4H9NOS
Molecular Weight119.19 g/mol
Exact Mass119.04
IUPAC NameN-(2-hydroxyethyl)ethanethioamide
SMILESCC(=S)NCCO
InChIInChI=1S/C4H9NOS/c1-4(7)5-2-3-6/h6H,2-3H2,1H3,(H,5,7)
InChIKeyVEARWWYJZXJJSE-UHFFFAOYSA-N
XLogP-0.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.19
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)ethanethioamide?
The IUPAC name of N-(2-hydroxyethyl)ethanethioamide (CID 20646760) is N-(2-hydroxyethyl)ethanethioamide.
What is the SMILES notation for N-(2-hydroxyethyl)ethanethioamide?
The canonical SMILES for N-(2-hydroxyethyl)ethanethioamide is CC(=S)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)ethanethioamide?
The InChIKey is VEARWWYJZXJJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NOS/c1-4(7)5-2-3-6/h6H,2-3H2,1H3,(H,5,7).
What are the key properties of N-(2-hydroxyethyl)ethanethioamide?
N-(2-hydroxyethyl)ethanethioamide has a molecular weight of 119.19 g/mol, XLogP of -0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)ethanethioamide is sourced from PubChem (CID 20646760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).