2-(4-methylsulfanylphenyl)-2,3-dihydro-1H-indole

C15H15NS — CID 4553676

IUPAC2-(4-methylsulfanylphenyl)-2,3-dihydro-1H-indole
SMILESCSc1ccc(C2Cc3ccccc3N2)cc1
InChIInChI=1S/C15H15NS/c1-17-13-8-6-11(7-9-13)15-10-12-4-2-3-5-14(12)16-15/h2-9,15-16H,10H2,1H3
InChIKeyZTSPPALZABHPOV-UHFFFAOYSA-N
MW241.36 g/mol
LogP4.12
Rot. Bonds2

About 2-(4-methylsulfanylphenyl)-2,3-dihydro-1H-indole

2-(4-methylsulfanylphenyl)-2,3-dihydro-1H-indole (PubChem CID 4553676) has the molecular formula C15H15NS and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-(4-methylsulfanylphenyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-(4-methylsulfanylphenyl)-2,3-dihydro-1H-indole
PubChem CID4553676
Molecular FormulaC15H15NS
Molecular Weight241.36 g/mol
Exact Mass241.09
IUPAC Name2-(4-methylsulfanylphenyl)-2,3-dihydro-1H-indole
SMILESCSc1ccc(C2Cc3ccccc3N2)cc1
InChIInChI=1S/C15H15NS/c1-17-13-8-6-11(7-9-13)15-10-12-4-2-3-5-14(12)16-15/h2-9,15-16H,10H2,1H3
InChIKeyZTSPPALZABHPOV-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-phenyl-2,3-dihydro-1H-indole
CID 7004228
(2R)-2-(4-bromophenyl)-2,3-dihydro-1H-indole
CID 7144522
2-(4-ethylphenyl)-2,3-dihydro-1H-indole
CID 3934310
(2S)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole
CID 7047714
(2R)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole
CID 7047713
(2R)-2-(4-methylsulfanylphenyl)azetidine
CID 130863298
3-(2,3-dihydro-1H-indol-2-yl)quinoline
CID 65041840
2-(3-propylphenyl)-2,3-dihydro-1H-indole
CID 116545623
(3S)-3-(4-methylsulfanylphenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 92715091
2-(2-chloro-5-fluorophenyl)-2,3-dihydro-1H-indole
CID 105395861
(2S)-2-[(2S)-2,3-dihydro-1H-indol-2-yl]-2,3-dihydro-1H-indole
CID 139181598
(2R)-2-methyl-2,3-dihydro-1H-indole;hydrochloride
CID 155819591

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfanylphenyl)-2,3-dihydro-1H-indole?
The IUPAC name of 2-(4-methylsulfanylphenyl)-2,3-dihydro-1H-indole (CID 4553676) is 2-(4-methylsulfanylphenyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-(4-methylsulfanylphenyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 2-(4-methylsulfanylphenyl)-2,3-dihydro-1H-indole is CSc1ccc(C2Cc3ccccc3N2)cc1.
What is the InChIKey of 2-(4-methylsulfanylphenyl)-2,3-dihydro-1H-indole?
The InChIKey is ZTSPPALZABHPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NS/c1-17-13-8-6-11(7-9-13)15-10-12-4-2-3-5-14(12)16-15/h2-9,15-16H,10H2,1H3.
What are the key properties of 2-(4-methylsulfanylphenyl)-2,3-dihydro-1H-indole?
2-(4-methylsulfanylphenyl)-2,3-dihydro-1H-indole has a molecular weight of 241.36 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfanylphenyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 4553676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).