1-(1,3-oxazol-5-yl)ethanethiol

C5H7NOS — CID 123179035

IUPAC1-(1,3-oxazol-5-yl)ethanethiol
SMILESCC(S)c1cnco1
InChIInChI=1S/C5H7NOS/c1-4(8)5-2-6-3-7-5/h2-4,8H,1H3
InChIKeyAHMKBNKZLDOEBV-UHFFFAOYSA-N
MW129.18 g/mol
LogP1.67
Rot. Bonds1

About 1-(1,3-oxazol-5-yl)ethanethiol

1-(1,3-oxazol-5-yl)ethanethiol (PubChem CID 123179035) has the molecular formula C5H7NOS and a molecular weight of 129.18 g/mol. Its IUPAC name is 1-(1,3-oxazol-5-yl)ethanethiol.

Molecular Properties

Compound Name1-(1,3-oxazol-5-yl)ethanethiol
PubChem CID123179035
Molecular FormulaC5H7NOS
Molecular Weight129.18 g/mol
Exact Mass129.02
IUPAC Name1-(1,3-oxazol-5-yl)ethanethiol
SMILESCC(S)c1cnco1
InChIInChI=1S/C5H7NOS/c1-4(8)5-2-6-3-7-5/h2-4,8H,1H3
InChIKeyAHMKBNKZLDOEBV-UHFFFAOYSA-N
XLogP1.67
TPSA26.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-oxazol-5-yl)ethanethiol?
The IUPAC name of 1-(1,3-oxazol-5-yl)ethanethiol (CID 123179035) is 1-(1,3-oxazol-5-yl)ethanethiol.
What is the SMILES notation for 1-(1,3-oxazol-5-yl)ethanethiol?
The canonical SMILES for 1-(1,3-oxazol-5-yl)ethanethiol is CC(S)c1cnco1.
What is the InChIKey of 1-(1,3-oxazol-5-yl)ethanethiol?
The InChIKey is AHMKBNKZLDOEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NOS/c1-4(8)5-2-6-3-7-5/h2-4,8H,1H3.
What are the key properties of 1-(1,3-oxazol-5-yl)ethanethiol?
1-(1,3-oxazol-5-yl)ethanethiol has a molecular weight of 129.18 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-oxazol-5-yl)ethanethiol is sourced from PubChem (CID 123179035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).