2-(2-hydroxyethylamino)ethanethioamide

C4H10N2OS — CID 123791584

IUPAC2-(2-hydroxyethylamino)ethanethioamide
SMILESNC(=S)CNCCO
InChIInChI=1S/C4H10N2OS/c5-4(8)3-6-1-2-7/h6-7H,1-3H2,(H2,5,8)
InChIKeyZIVMMBPUGHWITK-UHFFFAOYSA-N
MW134.20 g/mol
LogP-1.15
Rot. Bonds4

About 2-(2-hydroxyethylamino)ethanethioamide

2-(2-hydroxyethylamino)ethanethioamide (PubChem CID 123791584) has the molecular formula C4H10N2OS and a molecular weight of 134.20 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)ethanethioamide.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)ethanethioamide
PubChem CID123791584
Molecular FormulaC4H10N2OS
Molecular Weight134.20 g/mol
Exact Mass134.05
IUPAC Name2-(2-hydroxyethylamino)ethanethioamide
SMILESNC(=S)CNCCO
InChIInChI=1S/C4H10N2OS/c5-4(8)3-6-1-2-7/h6-7H,1-3H2,(H2,5,8)
InChIKeyZIVMMBPUGHWITK-UHFFFAOYSA-N
XLogP-1.15
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)ethanethioamide?
The IUPAC name of 2-(2-hydroxyethylamino)ethanethioamide (CID 123791584) is 2-(2-hydroxyethylamino)ethanethioamide.
What is the SMILES notation for 2-(2-hydroxyethylamino)ethanethioamide?
The canonical SMILES for 2-(2-hydroxyethylamino)ethanethioamide is NC(=S)CNCCO.
What is the InChIKey of 2-(2-hydroxyethylamino)ethanethioamide?
The InChIKey is ZIVMMBPUGHWITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2OS/c5-4(8)3-6-1-2-7/h6-7H,1-3H2,(H2,5,8).
What are the key properties of 2-(2-hydroxyethylamino)ethanethioamide?
2-(2-hydroxyethylamino)ethanethioamide has a molecular weight of 134.20 g/mol, XLogP of -1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)ethanethioamide is sourced from PubChem (CID 123791584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).