2-methyl-3-phenylsulfanyl-1H-indole

C15H13NS — CID 668282

IUPAC2-methyl-3-phenylsulfanyl-1H-indole
SMILESCc1[nH]c2ccccc2c1Sc1ccccc1
InChIInChI=1S/C15H13NS/c1-11-15(17-12-7-3-2-4-8-12)13-9-5-6-10-14(13)16-11/h2-10,16H,1H3
InChIKeyXIOLLGNEJMLTKR-UHFFFAOYSA-N
MW239.34 g/mol
LogP4.63
Rot. Bonds2

About 2-methyl-3-phenylsulfanyl-1H-indole

2-methyl-3-phenylsulfanyl-1H-indole (PubChem CID 668282) has the molecular formula C15H13NS and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-methyl-3-phenylsulfanyl-1H-indole.

Molecular Properties

Compound Name2-methyl-3-phenylsulfanyl-1H-indole
PubChem CID668282
Molecular FormulaC15H13NS
Molecular Weight239.34 g/mol
Exact Mass239.08
IUPAC Name2-methyl-3-phenylsulfanyl-1H-indole
SMILESCc1[nH]c2ccccc2c1Sc1ccccc1
InChIInChI=1S/C15H13NS/c1-11-15(17-12-7-3-2-4-8-12)13-9-5-6-10-14(13)16-11/h2-10,16H,1H3
InChIKeyXIOLLGNEJMLTKR-UHFFFAOYSA-N
XLogP4.63
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Carbazole
CID 6854
2-Methylindole
CID 7224
2,3-Dimethylindole
CID 7053
2-Phenylindole
CID 13698
4,9-Dihydro-1-methyl-3H-pyrido(3,4-b)indole
CID 160510
2,3-diphenyl-1H-indole
CID 77020
PD-146176
CID 297589
Cyclobrassinin
CID 184579
1,2,3,4-Tetrahydrocarbazole
CID 13664
2-ethyl-9H-carbazole
CID 138537
2-(4-methylphenyl)-1H-indole
CID 292599
3-Methylcarbazole
CID 20746

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenylsulfanyl-1H-indole?
The IUPAC name of 2-methyl-3-phenylsulfanyl-1H-indole (CID 668282) is 2-methyl-3-phenylsulfanyl-1H-indole.
What is the SMILES notation for 2-methyl-3-phenylsulfanyl-1H-indole?
The canonical SMILES for 2-methyl-3-phenylsulfanyl-1H-indole is Cc1[nH]c2ccccc2c1Sc1ccccc1.
What is the InChIKey of 2-methyl-3-phenylsulfanyl-1H-indole?
The InChIKey is XIOLLGNEJMLTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NS/c1-11-15(17-12-7-3-2-4-8-12)13-9-5-6-10-14(13)16-11/h2-10,16H,1H3.
What are the key properties of 2-methyl-3-phenylsulfanyl-1H-indole?
2-methyl-3-phenylsulfanyl-1H-indole has a molecular weight of 239.34 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenylsulfanyl-1H-indole is sourced from PubChem (CID 668282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).