8-chloro-2-methyl-4H-thiochromeno[4,3-c]pyrazole

C11H9ClN2S — CID 2741314

IUPAC8-chloro-2-methyl-4H-thiochromeno[4,3-c]pyrazole
SMILESCn1cc2c(n1)-c1cc(Cl)ccc1SC2
InChIInChI=1S/C11H9ClN2S/c1-14-5-7-6-15-10-3-2-8(12)4-9(10)11(7)13-14/h2-5H,6H2,1H3
InChIKeyGFVKZZMYMLKXSG-UHFFFAOYSA-N
MW236.73 g/mol
LogP3.35
Rot. Bonds

About 8-chloro-2-methyl-4H-thiochromeno[4,3-c]pyrazole

8-chloro-2-methyl-4H-thiochromeno[4,3-c]pyrazole (PubChem CID 2741314) has the molecular formula C11H9ClN2S and a molecular weight of 236.73 g/mol. Its IUPAC name is 8-chloro-2-methyl-4H-thiochromeno[4,3-c]pyrazole.

Molecular Properties

Compound Name8-chloro-2-methyl-4H-thiochromeno[4,3-c]pyrazole
PubChem CID2741314
Molecular FormulaC11H9ClN2S
Molecular Weight236.73 g/mol
Exact Mass236.02
IUPAC Name8-chloro-2-methyl-4H-thiochromeno[4,3-c]pyrazole
SMILESCn1cc2c(n1)-c1cc(Cl)ccc1SC2
InChIInChI=1S/C11H9ClN2S/c1-14-5-7-6-15-10-3-2-8(12)4-9(10)11(7)13-14/h2-5H,6H2,1H3
InChIKeyGFVKZZMYMLKXSG-UHFFFAOYSA-N
XLogP3.35
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.73
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-methyl-4H-thiochromeno[4,3-c]pyrazole?
The IUPAC name of 8-chloro-2-methyl-4H-thiochromeno[4,3-c]pyrazole (CID 2741314) is 8-chloro-2-methyl-4H-thiochromeno[4,3-c]pyrazole.
What is the SMILES notation for 8-chloro-2-methyl-4H-thiochromeno[4,3-c]pyrazole?
The canonical SMILES for 8-chloro-2-methyl-4H-thiochromeno[4,3-c]pyrazole is Cn1cc2c(n1)-c1cc(Cl)ccc1SC2.
What is the InChIKey of 8-chloro-2-methyl-4H-thiochromeno[4,3-c]pyrazole?
The InChIKey is GFVKZZMYMLKXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2S/c1-14-5-7-6-15-10-3-2-8(12)4-9(10)11(7)13-14/h2-5H,6H2,1H3.
What are the key properties of 8-chloro-2-methyl-4H-thiochromeno[4,3-c]pyrazole?
8-chloro-2-methyl-4H-thiochromeno[4,3-c]pyrazole has a molecular weight of 236.73 g/mol, XLogP of 3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-methyl-4H-thiochromeno[4,3-c]pyrazole is sourced from PubChem (CID 2741314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).