1-chloro-4-thiophen-2-ylsulfanylphthalazine

C12H7ClN2S2 — CID 62140617

IUPAC1-chloro-4-thiophen-2-ylsulfanylphthalazine
SMILESClc1nnc(Sc2cccs2)c2ccccc12
InChIInChI=1S/C12H7ClN2S2/c13-11-8-4-1-2-5-9(8)12(15-14-11)17-10-6-3-7-16-10/h1-7H
InChIKeyACVHYEQYLQWZDY-UHFFFAOYSA-N
MW278.79 g/mol
LogP4.50
Rot. Bonds2

About 1-chloro-4-thiophen-2-ylsulfanylphthalazine

1-chloro-4-thiophen-2-ylsulfanylphthalazine (PubChem CID 62140617) has the molecular formula C12H7ClN2S2 and a molecular weight of 278.79 g/mol. Its IUPAC name is 1-chloro-4-thiophen-2-ylsulfanylphthalazine.

Molecular Properties

Compound Name1-chloro-4-thiophen-2-ylsulfanylphthalazine
PubChem CID62140617
Molecular FormulaC12H7ClN2S2
Molecular Weight278.79 g/mol
Exact Mass277.97
IUPAC Name1-chloro-4-thiophen-2-ylsulfanylphthalazine
SMILESClc1nnc(Sc2cccs2)c2ccccc12
InChIInChI=1S/C12H7ClN2S2/c13-11-8-4-1-2-5-9(8)12(15-14-11)17-10-6-3-7-16-10/h1-7H
InChIKeyACVHYEQYLQWZDY-UHFFFAOYSA-N
XLogP4.50
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-thiophen-2-ylsulfanylphthalazine?
The IUPAC name of 1-chloro-4-thiophen-2-ylsulfanylphthalazine (CID 62140617) is 1-chloro-4-thiophen-2-ylsulfanylphthalazine.
What is the SMILES notation for 1-chloro-4-thiophen-2-ylsulfanylphthalazine?
The canonical SMILES for 1-chloro-4-thiophen-2-ylsulfanylphthalazine is Clc1nnc(Sc2cccs2)c2ccccc12.
What is the InChIKey of 1-chloro-4-thiophen-2-ylsulfanylphthalazine?
The InChIKey is ACVHYEQYLQWZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2S2/c13-11-8-4-1-2-5-9(8)12(15-14-11)17-10-6-3-7-16-10/h1-7H.
What are the key properties of 1-chloro-4-thiophen-2-ylsulfanylphthalazine?
1-chloro-4-thiophen-2-ylsulfanylphthalazine has a molecular weight of 278.79 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-thiophen-2-ylsulfanylphthalazine is sourced from PubChem (CID 62140617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).