6-chloro-4-methoxy-1,3-benzothiazole

C8H6ClNOS — CID 119093082

IUPAC6-chloro-4-methoxy-1,3-benzothiazole
SMILESCOc1cc(Cl)cc2scnc12
InChIInChI=1S/C8H6ClNOS/c1-11-6-2-5(9)3-7-8(6)10-4-12-7/h2-4H,1H3
InChIKeyPOXUTHUNMHFZSR-UHFFFAOYSA-N
MW199.66 g/mol
LogP2.96
Rot. Bonds1

About 6-chloro-4-methoxy-1,3-benzothiazole

6-chloro-4-methoxy-1,3-benzothiazole (PubChem CID 119093082) has the molecular formula C8H6ClNOS and a molecular weight of 199.66 g/mol. Its IUPAC name is 6-chloro-4-methoxy-1,3-benzothiazole.

Molecular Properties

Compound Name6-chloro-4-methoxy-1,3-benzothiazole
PubChem CID119093082
Molecular FormulaC8H6ClNOS
Molecular Weight199.66 g/mol
Exact Mass198.99
IUPAC Name6-chloro-4-methoxy-1,3-benzothiazole
SMILESCOc1cc(Cl)cc2scnc12
InChIInChI=1S/C8H6ClNOS/c1-11-6-2-5(9)3-7-8(6)10-4-12-7/h2-4H,1H3
InChIKeyPOXUTHUNMHFZSR-UHFFFAOYSA-N
XLogP2.96
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.66
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-methoxy-1,3-benzothiazole?
The IUPAC name of 6-chloro-4-methoxy-1,3-benzothiazole (CID 119093082) is 6-chloro-4-methoxy-1,3-benzothiazole.
What is the SMILES notation for 6-chloro-4-methoxy-1,3-benzothiazole?
The canonical SMILES for 6-chloro-4-methoxy-1,3-benzothiazole is COc1cc(Cl)cc2scnc12.
What is the InChIKey of 6-chloro-4-methoxy-1,3-benzothiazole?
The InChIKey is POXUTHUNMHFZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNOS/c1-11-6-2-5(9)3-7-8(6)10-4-12-7/h2-4H,1H3.
What are the key properties of 6-chloro-4-methoxy-1,3-benzothiazole?
6-chloro-4-methoxy-1,3-benzothiazole has a molecular weight of 199.66 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-methoxy-1,3-benzothiazole is sourced from PubChem (CID 119093082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).