2-(1,3-benzothiazol-2-yl)phenol

C13H9NOS — CID 18874

IUPAC2-(1,3-benzothiazol-2-yl)phenol
SMILESOc1ccccc1-c1nc2ccccc2s1
InChIInChI=1S/C13H9NOS/c15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13/h1-8,15H
InChIKeyMVVGSPCXHRFDDR-UHFFFAOYSA-N
MW227.29 g/mol
LogP3.67
Rot. Bonds1

About 2-(1,3-benzothiazol-2-yl)phenol

2-(1,3-benzothiazol-2-yl)phenol (PubChem CID 18874) has the molecular formula C13H9NOS and a molecular weight of 227.29 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)phenol.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)phenol
PubChem CID18874
Molecular FormulaC13H9NOS
Molecular Weight227.29 g/mol
Exact Mass227.04
IUPAC Name2-(1,3-benzothiazol-2-yl)phenol
SMILESOc1ccccc1-c1nc2ccccc2s1
InChIInChI=1S/C13H9NOS/c15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13/h1-8,15H
InChIKeyMVVGSPCXHRFDDR-UHFFFAOYSA-N
XLogP3.67
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)phenol?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)phenol (CID 18874) is 2-(1,3-benzothiazol-2-yl)phenol.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)phenol?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)phenol is Oc1ccccc1-c1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)phenol?
The InChIKey is MVVGSPCXHRFDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NOS/c15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13/h1-8,15H.
What are the key properties of 2-(1,3-benzothiazol-2-yl)phenol?
2-(1,3-benzothiazol-2-yl)phenol has a molecular weight of 227.29 g/mol, XLogP of 3.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)phenol is sourced from PubChem (CID 18874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).