2,5-dichloro-6-methoxy-1,3-benzothiazole

C8H5Cl2NOS — CID 83841308

IUPAC2,5-dichloro-6-methoxy-1,3-benzothiazole
SMILESCOc1cc2sc(Cl)nc2cc1Cl
InChIInChI=1S/C8H5Cl2NOS/c1-12-6-3-7-5(2-4(6)9)11-8(10)13-7/h2-3H,1H3
InChIKeyVUYCPJKFLWDRFI-UHFFFAOYSA-N
MW234.11 g/mol
LogP3.61
Rot. Bonds1

About 2,5-dichloro-6-methoxy-1,3-benzothiazole

2,5-dichloro-6-methoxy-1,3-benzothiazole (PubChem CID 83841308) has the molecular formula C8H5Cl2NOS and a molecular weight of 234.11 g/mol. Its IUPAC name is 2,5-dichloro-6-methoxy-1,3-benzothiazole.

Molecular Properties

Compound Name2,5-dichloro-6-methoxy-1,3-benzothiazole
PubChem CID83841308
Molecular FormulaC8H5Cl2NOS
Molecular Weight234.11 g/mol
Exact Mass232.95
IUPAC Name2,5-dichloro-6-methoxy-1,3-benzothiazole
SMILESCOc1cc2sc(Cl)nc2cc1Cl
InChIInChI=1S/C8H5Cl2NOS/c1-12-6-3-7-5(2-4(6)9)11-8(10)13-7/h2-3H,1H3
InChIKeyVUYCPJKFLWDRFI-UHFFFAOYSA-N
XLogP3.61
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.11
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-6-methoxy-1,3-benzothiazole?
The IUPAC name of 2,5-dichloro-6-methoxy-1,3-benzothiazole (CID 83841308) is 2,5-dichloro-6-methoxy-1,3-benzothiazole.
What is the SMILES notation for 2,5-dichloro-6-methoxy-1,3-benzothiazole?
The canonical SMILES for 2,5-dichloro-6-methoxy-1,3-benzothiazole is COc1cc2sc(Cl)nc2cc1Cl.
What is the InChIKey of 2,5-dichloro-6-methoxy-1,3-benzothiazole?
The InChIKey is VUYCPJKFLWDRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2NOS/c1-12-6-3-7-5(2-4(6)9)11-8(10)13-7/h2-3H,1H3.
What are the key properties of 2,5-dichloro-6-methoxy-1,3-benzothiazole?
2,5-dichloro-6-methoxy-1,3-benzothiazole has a molecular weight of 234.11 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-6-methoxy-1,3-benzothiazole is sourced from PubChem (CID 83841308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).