5-methyl-2-methylsulfanyl-3-nitroso-1H-indole

C10H10N2OS — CID 71344196

IUPAC5-methyl-2-methylsulfanyl-3-nitroso-1H-indole
SMILESCSc1[nH]c2ccc(C)cc2c1N=O
InChIInChI=1S/C10H10N2OS/c1-6-3-4-8-7(5-6)9(12-13)10(11-8)14-2/h3-5,11H,1-2H3
InChIKeyJNJVSIXEYDISTP-UHFFFAOYSA-N
MW206.27 g/mol
LogP3.60
Rot. Bonds2

About 5-methyl-2-methylsulfanyl-3-nitroso-1H-indole

5-methyl-2-methylsulfanyl-3-nitroso-1H-indole (PubChem CID 71344196) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 5-methyl-2-methylsulfanyl-3-nitroso-1H-indole.

Molecular Properties

Compound Name5-methyl-2-methylsulfanyl-3-nitroso-1H-indole
PubChem CID71344196
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name5-methyl-2-methylsulfanyl-3-nitroso-1H-indole
SMILESCSc1[nH]c2ccc(C)cc2c1N=O
InChIInChI=1S/C10H10N2OS/c1-6-3-4-8-7(5-6)9(12-13)10(11-8)14-2/h3-5,11H,1-2H3
InChIKeyJNJVSIXEYDISTP-UHFFFAOYSA-N
XLogP3.60
TPSA45.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-methylsulfanyl-3-nitroso-1H-indole?
The IUPAC name of 5-methyl-2-methylsulfanyl-3-nitroso-1H-indole (CID 71344196) is 5-methyl-2-methylsulfanyl-3-nitroso-1H-indole.
What is the SMILES notation for 5-methyl-2-methylsulfanyl-3-nitroso-1H-indole?
The canonical SMILES for 5-methyl-2-methylsulfanyl-3-nitroso-1H-indole is CSc1[nH]c2ccc(C)cc2c1N=O.
What is the InChIKey of 5-methyl-2-methylsulfanyl-3-nitroso-1H-indole?
The InChIKey is JNJVSIXEYDISTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c1-6-3-4-8-7(5-6)9(12-13)10(11-8)14-2/h3-5,11H,1-2H3.
What are the key properties of 5-methyl-2-methylsulfanyl-3-nitroso-1H-indole?
5-methyl-2-methylsulfanyl-3-nitroso-1H-indole has a molecular weight of 206.27 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-methylsulfanyl-3-nitroso-1H-indole is sourced from PubChem (CID 71344196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).