1-chloro-4-(3-chlorothiophen-2-yl)phthalazine

C12H6Cl2N2S — CID 80529354

IUPAC1-chloro-4-(3-chlorothiophen-2-yl)phthalazine
SMILESClc1ccsc1-c1nnc(Cl)c2ccccc12
InChIInChI=1S/C12H6Cl2N2S/c13-9-5-6-17-11(9)10-7-3-1-2-4-8(7)12(14)16-15-10/h1-6H
InChIKeyHMXLOKXFHXHDBY-UHFFFAOYSA-N
MW281.17 g/mol
LogP4.67
Rot. Bonds1

About 1-chloro-4-(3-chlorothiophen-2-yl)phthalazine

1-chloro-4-(3-chlorothiophen-2-yl)phthalazine (PubChem CID 80529354) has the molecular formula C12H6Cl2N2S and a molecular weight of 281.17 g/mol. Its IUPAC name is 1-chloro-4-(3-chlorothiophen-2-yl)phthalazine.

Molecular Properties

Compound Name1-chloro-4-(3-chlorothiophen-2-yl)phthalazine
PubChem CID80529354
Molecular FormulaC12H6Cl2N2S
Molecular Weight281.17 g/mol
Exact Mass279.96
IUPAC Name1-chloro-4-(3-chlorothiophen-2-yl)phthalazine
SMILESClc1ccsc1-c1nnc(Cl)c2ccccc12
InChIInChI=1S/C12H6Cl2N2S/c13-9-5-6-17-11(9)10-7-3-1-2-4-8(7)12(14)16-15-10/h1-6H
InChIKeyHMXLOKXFHXHDBY-UHFFFAOYSA-N
XLogP4.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.17
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(3-chlorothiophen-2-yl)phthalazine?
The IUPAC name of 1-chloro-4-(3-chlorothiophen-2-yl)phthalazine (CID 80529354) is 1-chloro-4-(3-chlorothiophen-2-yl)phthalazine.
What is the SMILES notation for 1-chloro-4-(3-chlorothiophen-2-yl)phthalazine?
The canonical SMILES for 1-chloro-4-(3-chlorothiophen-2-yl)phthalazine is Clc1ccsc1-c1nnc(Cl)c2ccccc12.
What is the InChIKey of 1-chloro-4-(3-chlorothiophen-2-yl)phthalazine?
The InChIKey is HMXLOKXFHXHDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2N2S/c13-9-5-6-17-11(9)10-7-3-1-2-4-8(7)12(14)16-15-10/h1-6H.
What are the key properties of 1-chloro-4-(3-chlorothiophen-2-yl)phthalazine?
1-chloro-4-(3-chlorothiophen-2-yl)phthalazine has a molecular weight of 281.17 g/mol, XLogP of 4.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(3-chlorothiophen-2-yl)phthalazine is sourced from PubChem (CID 80529354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).