6-methylsulfanyl-7,7a-dihydro-1H-indole

C9H11NS — CID 142842838

IUPAC6-methylsulfanyl-7,7a-dihydro-1H-indole
SMILESCSC1=CC=C2C=CNC2C1
InChIInChI=1S/C9H11NS/c1-11-8-3-2-7-4-5-10-9(7)6-8/h2-5,9-10H,6H2,1H3
InChIKeyDXRPJHXNEHEKGG-UHFFFAOYSA-N
MW165.26 g/mol
LogP2.05
Rot. Bonds1

About 6-methylsulfanyl-7,7a-dihydro-1H-indole

6-methylsulfanyl-7,7a-dihydro-1H-indole (PubChem CID 142842838) has the molecular formula C9H11NS and a molecular weight of 165.26 g/mol. Its IUPAC name is 6-methylsulfanyl-7,7a-dihydro-1H-indole.

Molecular Properties

Compound Name6-methylsulfanyl-7,7a-dihydro-1H-indole
PubChem CID142842838
Molecular FormulaC9H11NS
Molecular Weight165.26 g/mol
Exact Mass165.06
IUPAC Name6-methylsulfanyl-7,7a-dihydro-1H-indole
SMILESCSC1=CC=C2C=CNC2C1
InChIInChI=1S/C9H11NS/c1-11-8-3-2-7-4-5-10-9(7)6-8/h2-5,9-10H,6H2,1H3
InChIKeyDXRPJHXNEHEKGG-UHFFFAOYSA-N
XLogP2.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Tetrahydrothienopyridine
CID 66621461
7,7a-Dihydroindole
CID 68201405
5a,6-dihydro-5H-thieno[2,3-e]indole
CID 17947055
Acetonitrile;2,3,3a,4-tetrahydrothieno[3,2-b]pyridine
CID 67100340
2-Methyl-2,3,3a,4-tetrahydrothieno[3,2-b]pyridine
CID 67100810
(2S)-3-methylidene-2-(2-methylsulfanylethyl)-1,2-dihydropyrrole
CID 68224223
Tetrahydrothienopyridine hydrochloride
CID 68420022
2,3-dimethyl-2-methylsulfanyl-1H-pyridine
CID 69615313
2,3,3a,4-Tetrahydrothieno[3,2-b]pyridine;azane
CID 87244198
4a,5-dihydro-1H-thiopyrano[4,3-c]isoquinoline
CID 87327246
(6R)-5-ethenyl-6-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine
CID 89010970
7-Methyl-5,6-dihydro-1-benzothiophen-6-amine
CID 89073817

Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanyl-7,7a-dihydro-1H-indole?
The IUPAC name of 6-methylsulfanyl-7,7a-dihydro-1H-indole (CID 142842838) is 6-methylsulfanyl-7,7a-dihydro-1H-indole.
What is the SMILES notation for 6-methylsulfanyl-7,7a-dihydro-1H-indole?
The canonical SMILES for 6-methylsulfanyl-7,7a-dihydro-1H-indole is CSC1=CC=C2C=CNC2C1.
What is the InChIKey of 6-methylsulfanyl-7,7a-dihydro-1H-indole?
The InChIKey is DXRPJHXNEHEKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NS/c1-11-8-3-2-7-4-5-10-9(7)6-8/h2-5,9-10H,6H2,1H3.
What are the key properties of 6-methylsulfanyl-7,7a-dihydro-1H-indole?
6-methylsulfanyl-7,7a-dihydro-1H-indole has a molecular weight of 165.26 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-7,7a-dihydro-1H-indole is sourced from PubChem (CID 142842838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).