6-hydroxy-3H-1,3-benzothiazol-2-one

C7H5NO2S — CID 11491998

IUPAC6-hydroxy-3H-1,3-benzothiazol-2-one
SMILESO=c1[nH]c2ccc(O)cc2s1
InChIInChI=1S/C7H5NO2S/c9-4-1-2-5-6(3-4)11-7(10)8-5/h1-3,9H,(H,8,10)
InChIKeyIOAXKKHMBVTXJX-UHFFFAOYSA-N
MW167.19 g/mol
LogP1.30
Rot. Bonds

About 6-hydroxy-3H-1,3-benzothiazol-2-one

6-hydroxy-3H-1,3-benzothiazol-2-one (PubChem CID 11491998) has the molecular formula C7H5NO2S and a molecular weight of 167.19 g/mol. Its IUPAC name is 6-hydroxy-3H-1,3-benzothiazol-2-one.

Molecular Properties

Compound Name6-hydroxy-3H-1,3-benzothiazol-2-one
PubChem CID11491998
Molecular FormulaC7H5NO2S
Molecular Weight167.19 g/mol
Exact Mass167.00
IUPAC Name6-hydroxy-3H-1,3-benzothiazol-2-one
SMILESO=c1[nH]c2ccc(O)cc2s1
InChIInChI=1S/C7H5NO2S/c9-4-1-2-5-6(3-4)11-7(10)8-5/h1-3,9H,(H,8,10)
InChIKeyIOAXKKHMBVTXJX-UHFFFAOYSA-N
XLogP1.30
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-hydroxy-2H-1,4-benzothiazin-3(4H)-one
CID 820031
6-Hydroxy-2,3-dihydro-1,3-benzothiazole-2-carbonitrile
CID 90193139
2-Mercaptobenzo[d]thiazol-6-ol
CID 10197960
N-(4-hydroxyphenyl)-2-(2-oxo-1,3-benzothiazol-3(2H)-yl)acetamide
CID 1081531
6-Methoxy-2(3H)-benzothiazolone
CID 13745706
2,6,7-Trihydroxybenzothiazole
CID 16038321
2(3H)-Benzothiazolone, 6-hydroxy-3-methyl-
CID 11830047
Benzo[d]thiazole-2,4-diol
CID 21959856
5-Hydroxybenzo[d]thiazol-2(3H)-one
CID 14031345
3-[(2,2-difluorocyclopropyl)methyl]-6-hydroxy-1,3-benzothiazol-2(3H)-one
CID 67466380
(2Z)-2-hydrazinylidene-3-methyl-2,3-dihydro-1,3-benzothiazol-6-ol
CID 6887910
N-(4-hydroxy-2-methylsulfanylphenyl)acetamide
CID 70563417

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3H-1,3-benzothiazol-2-one?
The IUPAC name of 6-hydroxy-3H-1,3-benzothiazol-2-one (CID 11491998) is 6-hydroxy-3H-1,3-benzothiazol-2-one.
What is the SMILES notation for 6-hydroxy-3H-1,3-benzothiazol-2-one?
The canonical SMILES for 6-hydroxy-3H-1,3-benzothiazol-2-one is O=c1[nH]c2ccc(O)cc2s1.
What is the InChIKey of 6-hydroxy-3H-1,3-benzothiazol-2-one?
The InChIKey is IOAXKKHMBVTXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO2S/c9-4-1-2-5-6(3-4)11-7(10)8-5/h1-3,9H,(H,8,10).
What are the key properties of 6-hydroxy-3H-1,3-benzothiazol-2-one?
6-hydroxy-3H-1,3-benzothiazol-2-one has a molecular weight of 167.19 g/mol, XLogP of 1.30, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3H-1,3-benzothiazol-2-one is sourced from PubChem (CID 11491998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).