2,6-dichloro-4-methyl-1,3-benzothiazole

C8H5Cl2NS — CID 2049875

IUPAC2,6-dichloro-4-methyl-1,3-benzothiazole
SMILESCc1cc(Cl)cc2sc(Cl)nc12
InChIInChI=1S/C8H5Cl2NS/c1-4-2-5(9)3-6-7(4)11-8(10)12-6/h2-3H,1H3
InChIKeyGEJWHNRJIJINEQ-UHFFFAOYSA-N
MW218.11 g/mol
LogP3.91
Rot. Bonds

About 2,6-dichloro-4-methyl-1,3-benzothiazole

2,6-dichloro-4-methyl-1,3-benzothiazole (PubChem CID 2049875) has the molecular formula C8H5Cl2NS and a molecular weight of 218.11 g/mol. Its IUPAC name is 2,6-dichloro-4-methyl-1,3-benzothiazole.

Molecular Properties

Compound Name2,6-dichloro-4-methyl-1,3-benzothiazole
PubChem CID2049875
Molecular FormulaC8H5Cl2NS
Molecular Weight218.11 g/mol
Exact Mass216.95
IUPAC Name2,6-dichloro-4-methyl-1,3-benzothiazole
SMILESCc1cc(Cl)cc2sc(Cl)nc12
InChIInChI=1S/C8H5Cl2NS/c1-4-2-5(9)3-6-7(4)11-8(10)12-6/h2-3H,1H3
InChIKeyGEJWHNRJIJINEQ-UHFFFAOYSA-N
XLogP3.91
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.11
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-methyl-1,3-benzothiazole?
The IUPAC name of 2,6-dichloro-4-methyl-1,3-benzothiazole (CID 2049875) is 2,6-dichloro-4-methyl-1,3-benzothiazole.
What is the SMILES notation for 2,6-dichloro-4-methyl-1,3-benzothiazole?
The canonical SMILES for 2,6-dichloro-4-methyl-1,3-benzothiazole is Cc1cc(Cl)cc2sc(Cl)nc12.
What is the InChIKey of 2,6-dichloro-4-methyl-1,3-benzothiazole?
The InChIKey is GEJWHNRJIJINEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2NS/c1-4-2-5(9)3-6-7(4)11-8(10)12-6/h2-3H,1H3.
What are the key properties of 2,6-dichloro-4-methyl-1,3-benzothiazole?
2,6-dichloro-4-methyl-1,3-benzothiazole has a molecular weight of 218.11 g/mol, XLogP of 3.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-methyl-1,3-benzothiazole is sourced from PubChem (CID 2049875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).