3-hydroxy-1H-[1]benzothiolo[3,2-d]pyrimidine-2,4-dione

C10H6N2O3S — CID 11528774

IUPAC3-hydroxy-1H-[1]benzothiolo[3,2-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2c(sc3ccccc32)c(=O)n1O
InChIInChI=1S/C10H6N2O3S/c13-9-8-7(11-10(14)12(9)15)5-3-1-2-4-6(5)16-8/h1-4,15H,(H,11,14)
InChIKeyZRRRXSJGAQWFHX-UHFFFAOYSA-N
MW234.24 g/mol
LogP1.14
Rot. Bonds

About 3-hydroxy-1H-[1]benzothiolo[3,2-d]pyrimidine-2,4-dione

3-hydroxy-1H-[1]benzothiolo[3,2-d]pyrimidine-2,4-dione (PubChem CID 11528774) has the molecular formula C10H6N2O3S and a molecular weight of 234.24 g/mol. Its IUPAC name is 3-hydroxy-1H-[1]benzothiolo[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-hydroxy-1H-[1]benzothiolo[3,2-d]pyrimidine-2,4-dione
PubChem CID11528774
Molecular FormulaC10H6N2O3S
Molecular Weight234.24 g/mol
Exact Mass234.01
IUPAC Name3-hydroxy-1H-[1]benzothiolo[3,2-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2c(sc3ccccc32)c(=O)n1O
InChIInChI=1S/C10H6N2O3S/c13-9-8-7(11-10(14)12(9)15)5-3-1-2-4-6(5)16-8/h1-4,15H,(H,11,14)
InChIKeyZRRRXSJGAQWFHX-UHFFFAOYSA-N
XLogP1.14
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.24
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-Hydroxy-7-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 11507180
3-Hydroxy-6-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 11514445
6-benzyl-3-hydroxythieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 134693782
3-sec-butyl-8-nitro-2-thioxo-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
CID 4178152
3-(2-Methoxyethyl)-1-prop-2-enyl-[1]benzothiolo[3,2-d]pyrimidine-2,4-dione
CID 5309069
3-hydroxy-5-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
CID 134815751
6-(4-chlorophenyl)-3-hydroxy-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 134815902
6-(4-fluorophenyl)-3-hydroxy-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 134816129
3-hydroxy-6-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
CID 134816651
3-(3-methoxypropyl)-2-thioxo-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
CID 5123174
3-benzyl-1-(2-fluorobenzyl)[1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
CID 15988323
3-benzyl-1-(4-fluorobenzyl)[1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
CID 15988604

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1H-[1]benzothiolo[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-hydroxy-1H-[1]benzothiolo[3,2-d]pyrimidine-2,4-dione (CID 11528774) is 3-hydroxy-1H-[1]benzothiolo[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-hydroxy-1H-[1]benzothiolo[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-hydroxy-1H-[1]benzothiolo[3,2-d]pyrimidine-2,4-dione is O=c1[nH]c2c(sc3ccccc32)c(=O)n1O.
What is the InChIKey of 3-hydroxy-1H-[1]benzothiolo[3,2-d]pyrimidine-2,4-dione?
The InChIKey is ZRRRXSJGAQWFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O3S/c13-9-8-7(11-10(14)12(9)15)5-3-1-2-4-6(5)16-8/h1-4,15H,(H,11,14).
What are the key properties of 3-hydroxy-1H-[1]benzothiolo[3,2-d]pyrimidine-2,4-dione?
3-hydroxy-1H-[1]benzothiolo[3,2-d]pyrimidine-2,4-dione has a molecular weight of 234.24 g/mol, XLogP of 1.14, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1H-[1]benzothiolo[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 11528774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).