6-bromo-5-methylsulfanyl-2,3-dihydro-1H-indole

C9H10BrNS — CID 10562221

IUPAC6-bromo-5-methylsulfanyl-2,3-dihydro-1H-indole
SMILESCSc1cc2c(cc1Br)NCC2
InChIInChI=1S/C9H10BrNS/c1-12-9-4-6-2-3-11-8(6)5-7(9)10/h4-5,11H,2-3H2,1H3
InChIKeyNDAOWFOZNKYSNN-UHFFFAOYSA-N
MW244.16 g/mol
LogP3.14
Rot. Bonds1

About 6-bromo-5-methylsulfanyl-2,3-dihydro-1H-indole

6-bromo-5-methylsulfanyl-2,3-dihydro-1H-indole (PubChem CID 10562221) has the molecular formula C9H10BrNS and a molecular weight of 244.16 g/mol. Its IUPAC name is 6-bromo-5-methylsulfanyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name6-bromo-5-methylsulfanyl-2,3-dihydro-1H-indole
PubChem CID10562221
Molecular FormulaC9H10BrNS
Molecular Weight244.16 g/mol
Exact Mass242.97
IUPAC Name6-bromo-5-methylsulfanyl-2,3-dihydro-1H-indole
SMILESCSc1cc2c(cc1Br)NCC2
InChIInChI=1S/C9H10BrNS/c1-12-9-4-6-2-3-11-8(6)5-7(9)10/h4-5,11H,2-3H2,1H3
InChIKeyNDAOWFOZNKYSNN-UHFFFAOYSA-N
XLogP3.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.16
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-methylsulfanyl-2,3-dihydro-1H-indole?
The IUPAC name of 6-bromo-5-methylsulfanyl-2,3-dihydro-1H-indole (CID 10562221) is 6-bromo-5-methylsulfanyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 6-bromo-5-methylsulfanyl-2,3-dihydro-1H-indole?
The canonical SMILES for 6-bromo-5-methylsulfanyl-2,3-dihydro-1H-indole is CSc1cc2c(cc1Br)NCC2.
What is the InChIKey of 6-bromo-5-methylsulfanyl-2,3-dihydro-1H-indole?
The InChIKey is NDAOWFOZNKYSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNS/c1-12-9-4-6-2-3-11-8(6)5-7(9)10/h4-5,11H,2-3H2,1H3.
What are the key properties of 6-bromo-5-methylsulfanyl-2,3-dihydro-1H-indole?
6-bromo-5-methylsulfanyl-2,3-dihydro-1H-indole has a molecular weight of 244.16 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-methylsulfanyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 10562221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).