6-ethyl-7-fluoro-1,2-benzothiazole

C9H8FNS — CID 130064258

IUPAC6-ethyl-7-fluoro-1,2-benzothiazole
SMILESCCc1ccc2cnsc2c1F
InChIInChI=1S/C9H8FNS/c1-2-6-3-4-7-5-11-12-9(7)8(6)10/h3-5H,2H2,1H3
InChIKeyXOTVOOXDMKDUQA-UHFFFAOYSA-N
MW181.24 g/mol
LogP3.00
Rot. Bonds1

About 6-ethyl-7-fluoro-1,2-benzothiazole

6-ethyl-7-fluoro-1,2-benzothiazole (PubChem CID 130064258) has the molecular formula C9H8FNS and a molecular weight of 181.24 g/mol. Its IUPAC name is 6-ethyl-7-fluoro-1,2-benzothiazole.

Molecular Properties

Compound Name6-ethyl-7-fluoro-1,2-benzothiazole
PubChem CID130064258
Molecular FormulaC9H8FNS
Molecular Weight181.24 g/mol
Exact Mass181.04
IUPAC Name6-ethyl-7-fluoro-1,2-benzothiazole
SMILESCCc1ccc2cnsc2c1F
InChIInChI=1S/C9H8FNS/c1-2-6-3-4-7-5-11-12-9(7)8(6)10/h3-5H,2H2,1H3
InChIKeyXOTVOOXDMKDUQA-UHFFFAOYSA-N
XLogP3.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-7-fluoro-1,2-benzothiazole?
The IUPAC name of 6-ethyl-7-fluoro-1,2-benzothiazole (CID 130064258) is 6-ethyl-7-fluoro-1,2-benzothiazole.
What is the SMILES notation for 6-ethyl-7-fluoro-1,2-benzothiazole?
The canonical SMILES for 6-ethyl-7-fluoro-1,2-benzothiazole is CCc1ccc2cnsc2c1F.
What is the InChIKey of 6-ethyl-7-fluoro-1,2-benzothiazole?
The InChIKey is XOTVOOXDMKDUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNS/c1-2-6-3-4-7-5-11-12-9(7)8(6)10/h3-5H,2H2,1H3.
What are the key properties of 6-ethyl-7-fluoro-1,2-benzothiazole?
6-ethyl-7-fluoro-1,2-benzothiazole has a molecular weight of 181.24 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-7-fluoro-1,2-benzothiazole is sourced from PubChem (CID 130064258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).