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

C10H6N2O3S — CID 155806460

IUPAC7-hydroxy-1H-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)c2c([nH]1)sc1cc(O)ccc12
InChIInChI=1S/C10H6N2O3S/c13-4-1-2-5-6(3-4)16-9-7(5)8(14)11-10(15)12-9/h1-3,13H,(H2,11,12,14,15)
InChIKeyJJDRHGDVAXLLSX-UHFFFAOYSA-N
MW234.24 g/mol
LogP1.14
Rot. Bonds

About 7-hydroxy-1H-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione

7-hydroxy-1H-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione (PubChem CID 155806460) has the molecular formula C10H6N2O3S and a molecular weight of 234.24 g/mol. Its IUPAC name is 7-hydroxy-1H-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-hydroxy-1H-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione
PubChem CID155806460
Molecular FormulaC10H6N2O3S
Molecular Weight234.24 g/mol
Exact Mass234.01
IUPAC Name7-hydroxy-1H-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)c2c([nH]1)sc1cc(O)ccc12
InChIInChI=1S/C10H6N2O3S/c13-4-1-2-5-6(3-4)16-9-7(5)8(14)11-10(15)12-9/h1-3,13H,(H2,11,12,14,15)
InChIKeyJJDRHGDVAXLLSX-UHFFFAOYSA-N
XLogP1.14
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.24
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(6,8-dibromo-2,4-dioxo-1H-[1]benzothiolo[2,3-d]pyrimidin-7-yl) acetate
CID 166450567
2-sulfanylidene-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 10681200
3,6-dihydroxy-10H-acridin-9-one
CID 14086995
3-amino-2-sulfanyl-1-benzothiophen-6-ol
CID 131076485
16-hydroxy-3,11,19-trithiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6-carbaldehyde
CID 130242570
9-hydroxy-2,3-dihydrobenzo[f]phthalazine-1,4-dione
CID 57428995
6-hydroxy-3-sulfanyl-1-benzothiophene-2-carbaldehyde
CID 131196551
3-amino-2-ethyl-1-benzothiophen-6-ol
CID 131055002
6,17-dihydroxy-12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),4(9),5,7,15(20),16,18-octaene-3,10,14,21-tetrone
CID 73052318
2-(hydroxymethyl)-1-benzothiophene-3,6-diol
CID 130803251
2-hydroxy-2-(6-hydroxy-2-methyl-1-benzothiophen-3-yl)acetic acid
CID 115073051
5-hydroxy-1,3-dihydrothieno[2,3-d]imidazol-2-one
CID 69291689

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-1H-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-hydroxy-1H-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione (CID 155806460) is 7-hydroxy-1H-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-hydroxy-1H-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-hydroxy-1H-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione is O=c1[nH]c(=O)c2c([nH]1)sc1cc(O)ccc12.
What is the InChIKey of 7-hydroxy-1H-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione?
The InChIKey is JJDRHGDVAXLLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O3S/c13-4-1-2-5-6(3-4)16-9-7(5)8(14)11-10(15)12-9/h1-3,13H,(H2,11,12,14,15).
What are the key properties of 7-hydroxy-1H-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione?
7-hydroxy-1H-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione has a molecular weight of 234.24 g/mol, XLogP of 1.14, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-1H-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 155806460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).