3-methyl-1-methylsulfanylindazole

C9H10N2S — CID 130412696

IUPAC3-methyl-1-methylsulfanylindazole
SMILESCSn1nc(C)c2ccccc21
InChIInChI=1S/C9H10N2S/c1-7-8-5-3-4-6-9(8)11(10-7)12-2/h3-6H,1-2H3
InChIKeyRXFVPGGKFQBRSF-UHFFFAOYSA-N
MW178.26 g/mol
LogP2.47
Rot. Bonds1

About 3-methyl-1-methylsulfanylindazole

3-methyl-1-methylsulfanylindazole (PubChem CID 130412696) has the molecular formula C9H10N2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 3-methyl-1-methylsulfanylindazole.

Molecular Properties

Compound Name3-methyl-1-methylsulfanylindazole
PubChem CID130412696
Molecular FormulaC9H10N2S
Molecular Weight178.26 g/mol
Exact Mass178.06
IUPAC Name3-methyl-1-methylsulfanylindazole
SMILESCSn1nc(C)c2ccccc21
InChIInChI=1S/C9H10N2S/c1-7-8-5-3-4-6-9(8)11(10-7)12-2/h3-6H,1-2H3
InChIKeyRXFVPGGKFQBRSF-UHFFFAOYSA-N
XLogP2.47
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis(methylsulfanyl)indazole
CID 175715399
methyl-(3-methylindazol-1-yl)tin
CID 141033519
1-(3-methylindazol-1-yl)ethanethiol
CID 155129214
ethane;3-methyl-1-propylindazole
CID 144653830
3-(3-methylindazol-1-yl)benzaldehyde
CID 105497706
1-(1,2-dihydropyridin-4-yl)-3-methylindazole
CID 167447499
4-(3-methylindazol-1-yl)isoquinoline
CID 118496552
1-[(2,6-dichlorophenyl)methyl]-3-methylindazole
CID 58796715
3,6-dimethyl-[1,2,4]triazolo[3,4-a]phthalazine
CID 13185783
ethane;2-[(3-methylindazol-1-yl)methyl]isoindole-1,3-dione
CID 91117302
6-bromo-3-methyl-1-phenylindazole
CID 67449853
2-(3-methylindazol-1-yl)-N-propan-2-ylpropanamide
CID 22509793

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-methylsulfanylindazole?
The IUPAC name of 3-methyl-1-methylsulfanylindazole (CID 130412696) is 3-methyl-1-methylsulfanylindazole.
What is the SMILES notation for 3-methyl-1-methylsulfanylindazole?
The canonical SMILES for 3-methyl-1-methylsulfanylindazole is CSn1nc(C)c2ccccc21.
What is the InChIKey of 3-methyl-1-methylsulfanylindazole?
The InChIKey is RXFVPGGKFQBRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S/c1-7-8-5-3-4-6-9(8)11(10-7)12-2/h3-6H,1-2H3.
What are the key properties of 3-methyl-1-methylsulfanylindazole?
3-methyl-1-methylsulfanylindazole has a molecular weight of 178.26 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-methylsulfanylindazole is sourced from PubChem (CID 130412696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).