2-chloro-4-ethoxy-1,3-benzothiazole

C9H8ClNOS — CID 2049863

IUPAC2-chloro-4-ethoxy-1,3-benzothiazole
SMILESCCOc1cccc2sc(Cl)nc12
InChIInChI=1S/C9H8ClNOS/c1-2-12-6-4-3-5-7-8(6)11-9(10)13-7/h3-5H,2H2,1H3
InChIKeyRZFGTVCAOCOOEQ-UHFFFAOYSA-N
MW213.69 g/mol
LogP3.35
Rot. Bonds2

About 2-chloro-4-ethoxy-1,3-benzothiazole

2-chloro-4-ethoxy-1,3-benzothiazole (PubChem CID 2049863) has the molecular formula C9H8ClNOS and a molecular weight of 213.69 g/mol. Its IUPAC name is 2-chloro-4-ethoxy-1,3-benzothiazole.

Molecular Properties

Compound Name2-chloro-4-ethoxy-1,3-benzothiazole
PubChem CID2049863
Molecular FormulaC9H8ClNOS
Molecular Weight213.69 g/mol
Exact Mass213.00
IUPAC Name2-chloro-4-ethoxy-1,3-benzothiazole
SMILESCCOc1cccc2sc(Cl)nc12
InChIInChI=1S/C9H8ClNOS/c1-2-12-6-4-3-5-7-8(6)11-9(10)13-7/h3-5H,2H2,1H3
InChIKeyRZFGTVCAOCOOEQ-UHFFFAOYSA-N
XLogP3.35
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.69
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethoxy-1,3-benzothiazole?
The IUPAC name of 2-chloro-4-ethoxy-1,3-benzothiazole (CID 2049863) is 2-chloro-4-ethoxy-1,3-benzothiazole.
What is the SMILES notation for 2-chloro-4-ethoxy-1,3-benzothiazole?
The canonical SMILES for 2-chloro-4-ethoxy-1,3-benzothiazole is CCOc1cccc2sc(Cl)nc12.
What is the InChIKey of 2-chloro-4-ethoxy-1,3-benzothiazole?
The InChIKey is RZFGTVCAOCOOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNOS/c1-2-12-6-4-3-5-7-8(6)11-9(10)13-7/h3-5H,2H2,1H3.
What are the key properties of 2-chloro-4-ethoxy-1,3-benzothiazole?
2-chloro-4-ethoxy-1,3-benzothiazole has a molecular weight of 213.69 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethoxy-1,3-benzothiazole is sourced from PubChem (CID 2049863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).