3-prop-2-enoxy-1,2-benzothiazole

C10H9NOS — CID 56619872

IUPAC3-prop-2-enoxy-1,2-benzothiazole
SMILESC=CCOc1nsc2ccccc12
InChIInChI=1S/C10H9NOS/c1-2-7-12-10-8-5-3-4-6-9(8)13-11-10/h2-6H,1,7H2
InChIKeyQISQJUAZHAMAHS-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.86
Rot. Bonds3

About 3-prop-2-enoxy-1,2-benzothiazole

3-prop-2-enoxy-1,2-benzothiazole (PubChem CID 56619872) has the molecular formula C10H9NOS and a molecular weight of 191.25 g/mol. Its IUPAC name is 3-prop-2-enoxy-1,2-benzothiazole.

Molecular Properties

Compound Name3-prop-2-enoxy-1,2-benzothiazole
PubChem CID56619872
Molecular FormulaC10H9NOS
Molecular Weight191.25 g/mol
Exact Mass191.04
IUPAC Name3-prop-2-enoxy-1,2-benzothiazole
SMILESC=CCOc1nsc2ccccc12
InChIInChI=1S/C10H9NOS/c1-2-7-12-10-8-5-3-4-6-9(8)13-11-10/h2-6H,1,7H2
InChIKeyQISQJUAZHAMAHS-UHFFFAOYSA-N
XLogP2.86
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 38736
CID 38736
CID 163034
CID 163034
CID 210573
CID 210573
CID 210575
CID 210575
CID 210577
CID 210577
CID 210579
CID 210579
CID 212754
CID 212754
CID 57398501
CID 57398501
CID 57403712
CID 57403712
CID 592150
CID 592150
CID 198667
CID 198667
CID 198769
CID 198769

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enoxy-1,2-benzothiazole?
The IUPAC name of 3-prop-2-enoxy-1,2-benzothiazole (CID 56619872) is 3-prop-2-enoxy-1,2-benzothiazole.
What is the SMILES notation for 3-prop-2-enoxy-1,2-benzothiazole?
The canonical SMILES for 3-prop-2-enoxy-1,2-benzothiazole is C=CCOc1nsc2ccccc12.
What is the InChIKey of 3-prop-2-enoxy-1,2-benzothiazole?
The InChIKey is QISQJUAZHAMAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS/c1-2-7-12-10-8-5-3-4-6-9(8)13-11-10/h2-6H,1,7H2.
What are the key properties of 3-prop-2-enoxy-1,2-benzothiazole?
3-prop-2-enoxy-1,2-benzothiazole has a molecular weight of 191.25 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enoxy-1,2-benzothiazole is sourced from PubChem (CID 56619872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).