1-(1,3-Benzothiazol-6-yl)cyclopropanecarbaldehyde

HCID 82396839

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 1006875-98-4
Standard SMILES: O=CC1(c2ccc3ncsc3c2)CC1
InChIKey: FECGEARKPXLHPU-UHFFFAOYSA-N
Molecular formula: C11H9NOS
Average molar mass: 203.26 g/mol
Monoisotopic mass: 203.04048491

Names & identifiers

Preferred name: 1-(1,3-Benzothiazol-6-yl)cyclopropanecarbaldehyde
IUPAC: 1-(1,3-benzothiazol-6-yl)cyclopropane-1-carbaldehyde

Names & synonyms

SCHEMBL838020FECGEARKPXLHPU-UHFFFAOYSA-NDTXSID1012495471-(6-Benzothiazolyl)cyclopropanecarboxaldehyde1-(1,3-benzothiazol-6-yl)cyclopropanecarbaldehyde1-(1,3-benzothiazol-6-yl)cyclopropane-1-carbaldehyde1006875-98-4

Database identifiers

CAS: 1006875-98-4
PubChem CID: 82396839
DTXSID: DTXSID101249547

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 58.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 252

Related reactions

7 records

New reaction record

HRID 115354As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 607581As productuspto-grants-2011_03

HRID 607582As reactantuspto-grants-2011_03

HRID 1099063As productuspto-grants-2012_03

HRID 1099064As reactantuspto-grants-2012_03

HRID 2245963As productuspto-grants-2010_03

HRID 2245964As reactantuspto-grants-2010_03

Compound notes

Loading…