6-methyl-2,3-dihydro-1,3-benzothiazol-2-ol

C8H9NOS — CID 118104796

IUPAC6-methyl-2,3-dihydro-1,3-benzothiazol-2-ol
SMILESCc1ccc2c(c1)SC(O)N2
InChIInChI=1S/C8H9NOS/c1-5-2-3-6-7(4-5)11-8(10)9-6/h2-4,8-10H,1H3
InChIKeyAHMQBVWVUHLMMW-UHFFFAOYSA-N
MW167.23 g/mol
LogP1.79
Rot. Bonds

About 6-methyl-2,3-dihydro-1,3-benzothiazol-2-ol

6-methyl-2,3-dihydro-1,3-benzothiazol-2-ol (PubChem CID 118104796) has the molecular formula C8H9NOS and a molecular weight of 167.23 g/mol. Its IUPAC name is 6-methyl-2,3-dihydro-1,3-benzothiazol-2-ol.

Molecular Properties

Compound Name6-methyl-2,3-dihydro-1,3-benzothiazol-2-ol
PubChem CID118104796
Molecular FormulaC8H9NOS
Molecular Weight167.23 g/mol
Exact Mass167.04
IUPAC Name6-methyl-2,3-dihydro-1,3-benzothiazol-2-ol
SMILESCc1ccc2c(c1)SC(O)N2
InChIInChI=1S/C8H9NOS/c1-5-2-3-6-7(4-5)11-8(10)9-6/h2-4,8-10H,1H3
InChIKeyAHMQBVWVUHLMMW-UHFFFAOYSA-N
XLogP1.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,3-dihydro-1,3-benzothiazol-2-ol?
The IUPAC name of 6-methyl-2,3-dihydro-1,3-benzothiazol-2-ol (CID 118104796) is 6-methyl-2,3-dihydro-1,3-benzothiazol-2-ol.
What is the SMILES notation for 6-methyl-2,3-dihydro-1,3-benzothiazol-2-ol?
The canonical SMILES for 6-methyl-2,3-dihydro-1,3-benzothiazol-2-ol is Cc1ccc2c(c1)SC(O)N2.
What is the InChIKey of 6-methyl-2,3-dihydro-1,3-benzothiazol-2-ol?
The InChIKey is AHMQBVWVUHLMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NOS/c1-5-2-3-6-7(4-5)11-8(10)9-6/h2-4,8-10H,1H3.
What are the key properties of 6-methyl-2,3-dihydro-1,3-benzothiazol-2-ol?
6-methyl-2,3-dihydro-1,3-benzothiazol-2-ol has a molecular weight of 167.23 g/mol, XLogP of 1.79, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,3-dihydro-1,3-benzothiazol-2-ol is sourced from PubChem (CID 118104796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).