5-propyl-3H-1,3-oxazole-2-thione

C6H9NOS — CID 22714638

IUPAC5-propyl-3H-1,3-oxazole-2-thione
SMILESCCCc1c[nH]c(=S)o1
InChIInChI=1S/C6H9NOS/c1-2-3-5-4-7-6(9)8-5/h4H,2-3H2,1H3,(H,7,9)
InChIKeyLMPZHVQXCROFGQ-UHFFFAOYSA-N
MW143.21 g/mol
LogP2.29
Rot. Bonds2

About 5-propyl-3H-1,3-oxazole-2-thione

5-propyl-3H-1,3-oxazole-2-thione (PubChem CID 22714638) has the molecular formula C6H9NOS and a molecular weight of 143.21 g/mol. Its IUPAC name is 5-propyl-3H-1,3-oxazole-2-thione.

Molecular Properties

Compound Name5-propyl-3H-1,3-oxazole-2-thione
PubChem CID22714638
Molecular FormulaC6H9NOS
Molecular Weight143.21 g/mol
Exact Mass143.04
IUPAC Name5-propyl-3H-1,3-oxazole-2-thione
SMILESCCCc1c[nH]c(=S)o1
InChIInChI=1S/C6H9NOS/c1-2-3-5-4-7-6(9)8-5/h4H,2-3H2,1H3,(H,7,9)
InChIKeyLMPZHVQXCROFGQ-UHFFFAOYSA-N
XLogP2.29
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 52.29
H-Bond Donors ≤ 51
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 5-propyl-3H-1,3-oxazole-2-thione?
The IUPAC name of 5-propyl-3H-1,3-oxazole-2-thione (CID 22714638) is 5-propyl-3H-1,3-oxazole-2-thione.
What is the SMILES notation for 5-propyl-3H-1,3-oxazole-2-thione?
The canonical SMILES for 5-propyl-3H-1,3-oxazole-2-thione is CCCc1c[nH]c(=S)o1.
What is the InChIKey of 5-propyl-3H-1,3-oxazole-2-thione?
The InChIKey is LMPZHVQXCROFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NOS/c1-2-3-5-4-7-6(9)8-5/h4H,2-3H2,1H3,(H,7,9).
What are the key properties of 5-propyl-3H-1,3-oxazole-2-thione?
5-propyl-3H-1,3-oxazole-2-thione has a molecular weight of 143.21 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-3H-1,3-oxazole-2-thione is sourced from PubChem (CID 22714638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).