2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-c]pyridazin-3-yl)phenol

C16H14N2OS — CID 166127984

IUPAC2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-c]pyridazin-3-yl)phenol
SMILESOc1ccccc1-c1cc2c3c(sc2nn1)CCCC3
InChIInChI=1S/C16H14N2OS/c19-14-7-3-1-6-11(14)13-9-12-10-5-2-4-8-15(10)20-16(12)18-17-13/h1,3,6-7,9,19H,2,4-5,8H2
InChIKeyPHLSGFOGMLDJTG-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.94
Rot. Bonds1

About 2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-c]pyridazin-3-yl)phenol

2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-c]pyridazin-3-yl)phenol (PubChem CID 166127984) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is 2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-c]pyridazin-3-yl)phenol.

Molecular Properties

Compound Name2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-c]pyridazin-3-yl)phenol
PubChem CID166127984
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-c]pyridazin-3-yl)phenol
SMILESOc1ccccc1-c1cc2c3c(sc2nn1)CCCC3
InChIInChI=1S/C16H14N2OS/c19-14-7-3-1-6-11(14)13-9-12-10-5-2-4-8-15(10)20-16(12)18-17-13/h1,3,6-7,9,19H,2,4-5,8H2
InChIKeyPHLSGFOGMLDJTG-UHFFFAOYSA-N
XLogP3.94
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(1-benzothiophen-2-yl)-1H-pyrazol-3-yl]phenol
CID 155522013
5-Hydroxy-3,4-diphenylthieno[2,3-c]pyridazine-6-carbonitrile
CID 100945026
3,4-Diphenylthieno[2,3-c]pyridazin-5-ol
CID 6401461
2-{4-Chlorothieno[2,3-d]pyridazin-7-yl}phenol
CID 142487413
2-(4-Bromothieno[3,4-d]pyridazin-1-yl)phenol
CID 142487607
CID 166127899
CID 166127899
CID 166127909
CID 166127909
2-[(6R)-6-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-c]pyridazin-3-yl]phenol
CID 166127910
CID 166127930
CID 166127930
2-(8-Thia-4,10,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraen-12-yl)phenol
CID 166127952
CID 166127969
CID 166127969
(6S)-3-(2-hydroxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-c]pyridazine-6-carboxylic acid
CID 166127994

Frequently Asked Questions

What is the IUPAC name of 2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-c]pyridazin-3-yl)phenol?
The IUPAC name of 2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-c]pyridazin-3-yl)phenol (CID 166127984) is 2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-c]pyridazin-3-yl)phenol.
What is the SMILES notation for 2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-c]pyridazin-3-yl)phenol?
The canonical SMILES for 2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-c]pyridazin-3-yl)phenol is Oc1ccccc1-c1cc2c3c(sc2nn1)CCCC3.
What is the InChIKey of 2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-c]pyridazin-3-yl)phenol?
The InChIKey is PHLSGFOGMLDJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c19-14-7-3-1-6-11(14)13-9-12-10-5-2-4-8-15(10)20-16(12)18-17-13/h1,3,6-7,9,19H,2,4-5,8H2.
What are the key properties of 2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-c]pyridazin-3-yl)phenol?
2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-c]pyridazin-3-yl)phenol has a molecular weight of 282.37 g/mol, XLogP of 3.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-c]pyridazin-3-yl)phenol is sourced from PubChem (CID 166127984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).