5-chloro-3-methylsulfanyl-1H-indazole

C8H7ClN2S — CID 147556116

IUPAC5-chloro-3-methylsulfanyl-1H-indazole
SMILESCSc1n[nH]c2ccc(Cl)cc12
InChIInChI=1S/C8H7ClN2S/c1-12-8-6-4-5(9)2-3-7(6)10-11-8/h2-4H,1H3,(H,10,11)
InChIKeyFRRYLSAMCJKDMJ-UHFFFAOYSA-N
MW198.68 g/mol
LogP2.94
Rot. Bonds1

About 5-chloro-3-methylsulfanyl-1H-indazole

5-chloro-3-methylsulfanyl-1H-indazole (PubChem CID 147556116) has the molecular formula C8H7ClN2S and a molecular weight of 198.68 g/mol. Its IUPAC name is 5-chloro-3-methylsulfanyl-1H-indazole.

Molecular Properties

Compound Name5-chloro-3-methylsulfanyl-1H-indazole
PubChem CID147556116
Molecular FormulaC8H7ClN2S
Molecular Weight198.68 g/mol
Exact Mass198.00
IUPAC Name5-chloro-3-methylsulfanyl-1H-indazole
SMILESCSc1n[nH]c2ccc(Cl)cc12
InChIInChI=1S/C8H7ClN2S/c1-12-8-6-4-5(9)2-3-7(6)10-11-8/h2-4H,1H3,(H,10,11)
InChIKeyFRRYLSAMCJKDMJ-UHFFFAOYSA-N
XLogP2.94
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.68
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-chloro-3-methylsulfanyl-1H-indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methylsulfanyl-1H-indazole?
The IUPAC name of 5-chloro-3-methylsulfanyl-1H-indazole (CID 147556116) is 5-chloro-3-methylsulfanyl-1H-indazole.
What is the SMILES notation for 5-chloro-3-methylsulfanyl-1H-indazole?
The canonical SMILES for 5-chloro-3-methylsulfanyl-1H-indazole is CSc1n[nH]c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-3-methylsulfanyl-1H-indazole?
The InChIKey is FRRYLSAMCJKDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2S/c1-12-8-6-4-5(9)2-3-7(6)10-11-8/h2-4H,1H3,(H,10,11).
What are the key properties of 5-chloro-3-methylsulfanyl-1H-indazole?
5-chloro-3-methylsulfanyl-1H-indazole has a molecular weight of 198.68 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methylsulfanyl-1H-indazole is sourced from PubChem (CID 147556116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).