1,3-bis(methylsulfanyl)indazole

C9H10N2S2 — CID 175715399

IUPAC1,3-bis(methylsulfanyl)indazole
SMILESCSc1nn(SC)c2ccccc12
InChIInChI=1S/C9H10N2S2/c1-12-9-7-5-3-4-6-8(7)11(10-9)13-2/h3-6H,1-2H3
InChIKeyPKMRNIGSNDPFOO-UHFFFAOYSA-N
MW210.33 g/mol
LogP2.88
Rot. Bonds2

About 1,3-bis(methylsulfanyl)indazole

1,3-bis(methylsulfanyl)indazole (PubChem CID 175715399) has the molecular formula C9H10N2S2 and a molecular weight of 210.33 g/mol. Its IUPAC name is 1,3-bis(methylsulfanyl)indazole.

Molecular Properties

Compound Name1,3-bis(methylsulfanyl)indazole
PubChem CID175715399
Molecular FormulaC9H10N2S2
Molecular Weight210.33 g/mol
Exact Mass210.03
IUPAC Name1,3-bis(methylsulfanyl)indazole
SMILESCSc1nn(SC)c2ccccc12
InChIInChI=1S/C9H10N2S2/c1-12-9-7-5-3-4-6-8(7)11(10-9)13-2/h3-6H,1-2H3
InChIKeyPKMRNIGSNDPFOO-UHFFFAOYSA-N
XLogP2.88
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.33
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(methylsulfanyl)indazole?
The IUPAC name of 1,3-bis(methylsulfanyl)indazole (CID 175715399) is 1,3-bis(methylsulfanyl)indazole.
What is the SMILES notation for 1,3-bis(methylsulfanyl)indazole?
The canonical SMILES for 1,3-bis(methylsulfanyl)indazole is CSc1nn(SC)c2ccccc12.
What is the InChIKey of 1,3-bis(methylsulfanyl)indazole?
The InChIKey is PKMRNIGSNDPFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S2/c1-12-9-7-5-3-4-6-8(7)11(10-9)13-2/h3-6H,1-2H3.
What are the key properties of 1,3-bis(methylsulfanyl)indazole?
1,3-bis(methylsulfanyl)indazole has a molecular weight of 210.33 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(methylsulfanyl)indazole is sourced from PubChem (CID 175715399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).