1-oxo-1,3-benzothiazol-6-ol

C7H5NO2S — CID 140970655

IUPAC1-oxo-1,3-benzothiazol-6-ol
SMILESO=S1C=Nc2ccc(O)cc21
InChIInChI=1S/C7H5NO2S/c9-5-1-2-6-7(3-5)11(10)4-8-6/h1-4,9H
InChIKeyKJTIXPZAEDPUDJ-UHFFFAOYSA-N
MW167.19 g/mol
LogP1.17
Rot. Bonds

About 1-oxo-1,3-benzothiazol-6-ol

1-oxo-1,3-benzothiazol-6-ol (PubChem CID 140970655) has the molecular formula C7H5NO2S and a molecular weight of 167.19 g/mol. Its IUPAC name is 1-oxo-1,3-benzothiazol-6-ol.

Molecular Properties

Compound Name1-oxo-1,3-benzothiazol-6-ol
PubChem CID140970655
Molecular FormulaC7H5NO2S
Molecular Weight167.19 g/mol
Exact Mass167.00
IUPAC Name1-oxo-1,3-benzothiazol-6-ol
SMILESO=S1C=Nc2ccc(O)cc21
InChIInChI=1S/C7H5NO2S/c9-5-1-2-6-7(3-5)11(10)4-8-6/h1-4,9H
InChIKeyKJTIXPZAEDPUDJ-UHFFFAOYSA-N
XLogP1.17
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Amino-3-(methylsulfanyl)phenol
CID 19048349
5-Hydroxybenzothiazolone
CID 138455208
2,6-Difluoro-4-(methylideneamino)-3-methylsulfanylphenol
CID 123535189
4-Hydroxybenzothiazolone
CID 129859277
3-(2,2-Difluoropropylsulfanyl)-2-fluoro-4-(methylideneamino)phenol
CID 144830569
7-Amino-1,1-dioxo-1,3-benzothiazol-6-ol
CID 20452193
2H-1,4-benzothiazin-7-ol
CID 70259300
4-Amino-3-methylsulfonylphenol
CID 90810743
4-(1-Methoxy-1,3-benzothiazol-1-yl)phenol
CID 139625247
4-[(1-Chloro-1,3-benzothiazol-1-yl)oxy]phenol
CID 140331360
6-Methoxy-1,3-benzothiazole 1,1-dioxide
CID 140984987
N-(4-hydroxy-2-methylsulfanylphenyl)methanimidoyl chloride
CID 142968928

Frequently Asked Questions

What is the IUPAC name of 1-oxo-1,3-benzothiazol-6-ol?
The IUPAC name of 1-oxo-1,3-benzothiazol-6-ol (CID 140970655) is 1-oxo-1,3-benzothiazol-6-ol.
What is the SMILES notation for 1-oxo-1,3-benzothiazol-6-ol?
The canonical SMILES for 1-oxo-1,3-benzothiazol-6-ol is O=S1C=Nc2ccc(O)cc21.
What is the InChIKey of 1-oxo-1,3-benzothiazol-6-ol?
The InChIKey is KJTIXPZAEDPUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO2S/c9-5-1-2-6-7(3-5)11(10)4-8-6/h1-4,9H.
What are the key properties of 1-oxo-1,3-benzothiazol-6-ol?
1-oxo-1,3-benzothiazol-6-ol has a molecular weight of 167.19 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-1,3-benzothiazol-6-ol is sourced from PubChem (CID 140970655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).