1-chloro-4-(5-methylthiophen-2-yl)phthalazine

C13H9ClN2S — CID 43115278

IUPAC1-chloro-4-(5-methylthiophen-2-yl)phthalazine
SMILESCc1ccc(-c2nnc(Cl)c3ccccc23)s1
InChIInChI=1S/C13H9ClN2S/c1-8-6-7-11(17-8)12-9-4-2-3-5-10(9)13(14)16-15-12/h2-7H,1H3
InChIKeyZWTRNFGEFCUSTQ-UHFFFAOYSA-N
MW260.75 g/mol
LogP4.32
Rot. Bonds1

About 1-chloro-4-(5-methylthiophen-2-yl)phthalazine

1-chloro-4-(5-methylthiophen-2-yl)phthalazine (PubChem CID 43115278) has the molecular formula C13H9ClN2S and a molecular weight of 260.75 g/mol. Its IUPAC name is 1-chloro-4-(5-methylthiophen-2-yl)phthalazine.

Molecular Properties

Compound Name1-chloro-4-(5-methylthiophen-2-yl)phthalazine
PubChem CID43115278
Molecular FormulaC13H9ClN2S
Molecular Weight260.75 g/mol
Exact Mass260.02
IUPAC Name1-chloro-4-(5-methylthiophen-2-yl)phthalazine
SMILESCc1ccc(-c2nnc(Cl)c3ccccc23)s1
InChIInChI=1S/C13H9ClN2S/c1-8-6-7-11(17-8)12-9-4-2-3-5-10(9)13(14)16-15-12/h2-7H,1H3
InChIKeyZWTRNFGEFCUSTQ-UHFFFAOYSA-N
XLogP4.32
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.75
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(5-methylthiophen-2-yl)phthalazine?
The IUPAC name of 1-chloro-4-(5-methylthiophen-2-yl)phthalazine (CID 43115278) is 1-chloro-4-(5-methylthiophen-2-yl)phthalazine.
What is the SMILES notation for 1-chloro-4-(5-methylthiophen-2-yl)phthalazine?
The canonical SMILES for 1-chloro-4-(5-methylthiophen-2-yl)phthalazine is Cc1ccc(-c2nnc(Cl)c3ccccc23)s1.
What is the InChIKey of 1-chloro-4-(5-methylthiophen-2-yl)phthalazine?
The InChIKey is ZWTRNFGEFCUSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2S/c1-8-6-7-11(17-8)12-9-4-2-3-5-10(9)13(14)16-15-12/h2-7H,1H3.
What are the key properties of 1-chloro-4-(5-methylthiophen-2-yl)phthalazine?
1-chloro-4-(5-methylthiophen-2-yl)phthalazine has a molecular weight of 260.75 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(5-methylthiophen-2-yl)phthalazine is sourced from PubChem (CID 43115278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).