2-prop-2-enyl-3H-1,2-thiazole 1-oxide

C6H9NOS — CID 70013743

IUPAC2-prop-2-enyl-3H-1,2-thiazole 1-oxide
SMILESC=CCN1CC=CS1=O
InChIInChI=1S/C6H9NOS/c1-2-4-7-5-3-6-9(7)8/h2-3,6H,1,4-5H2
InChIKeyWMGXCIWRUMEMFM-UHFFFAOYSA-N
MW143.21 g/mol
LogP0.67
Rot. Bonds2

About 2-prop-2-enyl-3H-1,2-thiazole 1-oxide

2-prop-2-enyl-3H-1,2-thiazole 1-oxide (PubChem CID 70013743) has the molecular formula C6H9NOS and a molecular weight of 143.21 g/mol. Its IUPAC name is 2-prop-2-enyl-3H-1,2-thiazole 1-oxide.

Molecular Properties

Compound Name2-prop-2-enyl-3H-1,2-thiazole 1-oxide
PubChem CID70013743
Molecular FormulaC6H9NOS
Molecular Weight143.21 g/mol
Exact Mass143.04
IUPAC Name2-prop-2-enyl-3H-1,2-thiazole 1-oxide
SMILESC=CCN1CC=CS1=O
InChIInChI=1S/C6H9NOS/c1-2-4-7-5-3-6-9(7)8/h2-3,6H,1,4-5H2
InChIKeyWMGXCIWRUMEMFM-UHFFFAOYSA-N
XLogP0.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enyl-3H-1,2-thiazole 1-oxide?
The IUPAC name of 2-prop-2-enyl-3H-1,2-thiazole 1-oxide (CID 70013743) is 2-prop-2-enyl-3H-1,2-thiazole 1-oxide.
What is the SMILES notation for 2-prop-2-enyl-3H-1,2-thiazole 1-oxide?
The canonical SMILES for 2-prop-2-enyl-3H-1,2-thiazole 1-oxide is C=CCN1CC=CS1=O.
What is the InChIKey of 2-prop-2-enyl-3H-1,2-thiazole 1-oxide?
The InChIKey is WMGXCIWRUMEMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NOS/c1-2-4-7-5-3-6-9(7)8/h2-3,6H,1,4-5H2.
What are the key properties of 2-prop-2-enyl-3H-1,2-thiazole 1-oxide?
2-prop-2-enyl-3H-1,2-thiazole 1-oxide has a molecular weight of 143.21 g/mol, XLogP of 0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-3H-1,2-thiazole 1-oxide is sourced from PubChem (CID 70013743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).