3-methyl-1,3-benzothiazol-2-one;hydrochloride

C8H8ClNOS — CID 10130411

IUPAC3-methyl-1,3-benzothiazol-2-one;hydrochloride
SMILESCl.Cn1c(=O)sc2ccccc21
InChIInChI=1S/C8H7NOS.ClH/c1-9-6-4-2-3-5-7(6)11-8(9)10;/h2-5H,1H3;1H
InChIKeyRHJOANDLSUSVTE-UHFFFAOYSA-N
MW201.68 g/mol
LogP2.02
Rot. Bonds

About 3-methyl-1,3-benzothiazol-2-one;hydrochloride

3-methyl-1,3-benzothiazol-2-one;hydrochloride (PubChem CID 10130411) has the molecular formula C8H8ClNOS and a molecular weight of 201.68 g/mol. Its IUPAC name is 3-methyl-1,3-benzothiazol-2-one;hydrochloride.

Molecular Properties

Compound Name3-methyl-1,3-benzothiazol-2-one;hydrochloride
PubChem CID10130411
Molecular FormulaC8H8ClNOS
Molecular Weight201.68 g/mol
Exact Mass201.00
IUPAC Name3-methyl-1,3-benzothiazol-2-one;hydrochloride
SMILESCl.Cn1c(=O)sc2ccccc21
InChIInChI=1S/C8H7NOS.ClH/c1-9-6-4-2-3-5-7(6)11-8(9)10;/h2-5H,1H3;1H
InChIKeyRHJOANDLSUSVTE-UHFFFAOYSA-N
XLogP2.02
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.68
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,3-benzothiazol-2-one;hydrochloride?
The IUPAC name of 3-methyl-1,3-benzothiazol-2-one;hydrochloride (CID 10130411) is 3-methyl-1,3-benzothiazol-2-one;hydrochloride.
What is the SMILES notation for 3-methyl-1,3-benzothiazol-2-one;hydrochloride?
The canonical SMILES for 3-methyl-1,3-benzothiazol-2-one;hydrochloride is Cl.Cn1c(=O)sc2ccccc21.
What is the InChIKey of 3-methyl-1,3-benzothiazol-2-one;hydrochloride?
The InChIKey is RHJOANDLSUSVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NOS.ClH/c1-9-6-4-2-3-5-7(6)11-8(9)10;/h2-5H,1H3;1H.
What are the key properties of 3-methyl-1,3-benzothiazol-2-one;hydrochloride?
3-methyl-1,3-benzothiazol-2-one;hydrochloride has a molecular weight of 201.68 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,3-benzothiazol-2-one;hydrochloride is sourced from PubChem (CID 10130411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).