1-chloro-4-(furan-2-ylmethylsulfanyl)phthalazine

C13H9ClN2OS — CID 62142545

IUPAC1-chloro-4-(furan-2-ylmethylsulfanyl)phthalazine
SMILESClc1nnc(SCc2ccco2)c2ccccc12
InChIInChI=1S/C13H9ClN2OS/c14-12-10-5-1-2-6-11(10)13(16-15-12)18-8-9-4-3-7-17-9/h1-7H,8H2
InChIKeyVOGKGDFGERRXOH-UHFFFAOYSA-N
MW276.75 g/mol
LogP4.17
Rot. Bonds3

About 1-chloro-4-(furan-2-ylmethylsulfanyl)phthalazine

1-chloro-4-(furan-2-ylmethylsulfanyl)phthalazine (PubChem CID 62142545) has the molecular formula C13H9ClN2OS and a molecular weight of 276.75 g/mol. Its IUPAC name is 1-chloro-4-(furan-2-ylmethylsulfanyl)phthalazine.

Molecular Properties

Compound Name1-chloro-4-(furan-2-ylmethylsulfanyl)phthalazine
PubChem CID62142545
Molecular FormulaC13H9ClN2OS
Molecular Weight276.75 g/mol
Exact Mass276.01
IUPAC Name1-chloro-4-(furan-2-ylmethylsulfanyl)phthalazine
SMILESClc1nnc(SCc2ccco2)c2ccccc12
InChIInChI=1S/C13H9ClN2OS/c14-12-10-5-1-2-6-11(10)13(16-15-12)18-8-9-4-3-7-17-9/h1-7H,8H2
InChIKeyVOGKGDFGERRXOH-UHFFFAOYSA-N
XLogP4.17
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,5-trichloro-6-(furan-2-ylmethylsulfanyl)pyridine
CID 102752209
1-chloro-4-(2-methylpropylsulfanyl)phthalazine
CID 62140436
1,4-bis[(4-chlorophenyl)methylsulfanyl]phthalazine
CID 102309856
3,5-dichloro-6-(furan-2-ylmethylsulfanyl)-N-methylpyridin-2-amine
CID 102761283
2-chloro-3-(furan-2-ylmethylsulfanylmethyl)quinoline
CID 60652149
1-chloro-4-propan-2-ylsulfanylphthalazine
CID 62126861
6-(furan-2-ylmethylsulfanyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80990415
2-(furan-2-ylmethylsulfanyl)benzaldehyde
CID 63803722
2-[(2,3-dichlorophenyl)sulfanylmethyl]furan
CID 173213846
5-chloro-N-ethyl-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-amine
CID 80893486
4-chloro-2-(furan-2-ylmethylsulfanyl)aniline
CID 79528052
5-(furan-2-ylmethylsulfanyl)-1H-1,2,4-triazole
CID 68957437

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(furan-2-ylmethylsulfanyl)phthalazine?
The IUPAC name of 1-chloro-4-(furan-2-ylmethylsulfanyl)phthalazine (CID 62142545) is 1-chloro-4-(furan-2-ylmethylsulfanyl)phthalazine.
What is the SMILES notation for 1-chloro-4-(furan-2-ylmethylsulfanyl)phthalazine?
The canonical SMILES for 1-chloro-4-(furan-2-ylmethylsulfanyl)phthalazine is Clc1nnc(SCc2ccco2)c2ccccc12.
What is the InChIKey of 1-chloro-4-(furan-2-ylmethylsulfanyl)phthalazine?
The InChIKey is VOGKGDFGERRXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2OS/c14-12-10-5-1-2-6-11(10)13(16-15-12)18-8-9-4-3-7-17-9/h1-7H,8H2.
What are the key properties of 1-chloro-4-(furan-2-ylmethylsulfanyl)phthalazine?
1-chloro-4-(furan-2-ylmethylsulfanyl)phthalazine has a molecular weight of 276.75 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(furan-2-ylmethylsulfanyl)phthalazine is sourced from PubChem (CID 62142545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).