2-(2-hydroxyphenyl)-1,2-benzothiazol-3-one

C13H9NO2S — CID 102056973

IUPAC2-(2-hydroxyphenyl)-1,2-benzothiazol-3-one
SMILESO=c1c2ccccc2sn1-c1ccccc1O
InChIInChI=1S/C13H9NO2S/c15-11-7-3-2-6-10(11)14-13(16)9-5-1-4-8-12(9)17-14/h1-8,15H
InChIKeyDUBUVKSCWGSYGZ-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.76
Rot. Bonds1

About 2-(2-hydroxyphenyl)-1,2-benzothiazol-3-one

2-(2-hydroxyphenyl)-1,2-benzothiazol-3-one (PubChem CID 102056973) has the molecular formula C13H9NO2S and a molecular weight of 243.29 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-1,2-benzothiazol-3-one.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-1,2-benzothiazol-3-one
PubChem CID102056973
Molecular FormulaC13H9NO2S
Molecular Weight243.29 g/mol
Exact Mass243.04
IUPAC Name2-(2-hydroxyphenyl)-1,2-benzothiazol-3-one
SMILESO=c1c2ccccc2sn1-c1ccccc1O
InChIInChI=1S/C13H9NO2S/c15-11-7-3-2-6-10(11)14-13(16)9-5-1-4-8-12(9)17-14/h1-8,15H
InChIKeyDUBUVKSCWGSYGZ-UHFFFAOYSA-N
XLogP2.76
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-Benzisoselenazol-3(2H)-one, 2-(2-hydroxyphenyl)-
CID 3067580
N-(2-hydroxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 821304
N-(o-hydroxyphenyl)phthalimide
CID 237482
2-hydroxyphenyl N-phenylbenzamide
CID 271747
N-(2-Hydroxyphenyl)benzamide
CID 231766
2-(2-Methoxyphenyl)-1,2-benzothiazol-3-one
CID 22416218
1,2-Benzisoselenazol-3(2H)-one, 2-(4-hydroxyphenyl)-
CID 3067578
3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(2-hydroxyphenyl)propanamide
CID 835181
7-Fluoro-2-(3-hydroxyphenyl)-1,2-benzothiazol-3-one
CID 56666676
N-(2-hydroxyphenyl)-2-[[2-[(2-hydroxyphenyl)carbamoyl]phenyl]disulfanyl]benzamide
CID 465330
N-(2-hydroxyphenyl)-3-(1-pyrrolidinylsulfonyl)benzamide
CID 743030
2-(4-Fluoro-2-hydroxyphenyl)isoindoline-1,3-dione
CID 168327771

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-1,2-benzothiazol-3-one?
The IUPAC name of 2-(2-hydroxyphenyl)-1,2-benzothiazol-3-one (CID 102056973) is 2-(2-hydroxyphenyl)-1,2-benzothiazol-3-one.
What is the SMILES notation for 2-(2-hydroxyphenyl)-1,2-benzothiazol-3-one?
The canonical SMILES for 2-(2-hydroxyphenyl)-1,2-benzothiazol-3-one is O=c1c2ccccc2sn1-c1ccccc1O.
What is the InChIKey of 2-(2-hydroxyphenyl)-1,2-benzothiazol-3-one?
The InChIKey is DUBUVKSCWGSYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2S/c15-11-7-3-2-6-10(11)14-13(16)9-5-1-4-8-12(9)17-14/h1-8,15H.
What are the key properties of 2-(2-hydroxyphenyl)-1,2-benzothiazol-3-one?
2-(2-hydroxyphenyl)-1,2-benzothiazol-3-one has a molecular weight of 243.29 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-1,2-benzothiazol-3-one is sourced from PubChem (CID 102056973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).