4-chloro-5-methylsulfanyl-2,3-dihydro-1H-indole

C9H10ClNS — CID 18940897

IUPAC4-chloro-5-methylsulfanyl-2,3-dihydro-1H-indole
SMILESCSc1ccc2c(c1Cl)CCN2
InChIInChI=1S/C9H10ClNS/c1-12-8-3-2-7-6(9(8)10)4-5-11-7/h2-3,11H,4-5H2,1H3
InChIKeyNBUWBVVDVZANHK-UHFFFAOYSA-N
MW199.71 g/mol
LogP3.03
Rot. Bonds1

About 4-chloro-5-methylsulfanyl-2,3-dihydro-1H-indole

4-chloro-5-methylsulfanyl-2,3-dihydro-1H-indole (PubChem CID 18940897) has the molecular formula C9H10ClNS and a molecular weight of 199.71 g/mol. Its IUPAC name is 4-chloro-5-methylsulfanyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name4-chloro-5-methylsulfanyl-2,3-dihydro-1H-indole
PubChem CID18940897
Molecular FormulaC9H10ClNS
Molecular Weight199.71 g/mol
Exact Mass199.02
IUPAC Name4-chloro-5-methylsulfanyl-2,3-dihydro-1H-indole
SMILESCSc1ccc2c(c1Cl)CCN2
InChIInChI=1S/C9H10ClNS/c1-12-8-3-2-7-6(9(8)10)4-5-11-7/h2-3,11H,4-5H2,1H3
InChIKeyNBUWBVVDVZANHK-UHFFFAOYSA-N
XLogP3.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.71
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methylsulfanyl-2,3-dihydro-1H-indole?
The IUPAC name of 4-chloro-5-methylsulfanyl-2,3-dihydro-1H-indole (CID 18940897) is 4-chloro-5-methylsulfanyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 4-chloro-5-methylsulfanyl-2,3-dihydro-1H-indole?
The canonical SMILES for 4-chloro-5-methylsulfanyl-2,3-dihydro-1H-indole is CSc1ccc2c(c1Cl)CCN2.
What is the InChIKey of 4-chloro-5-methylsulfanyl-2,3-dihydro-1H-indole?
The InChIKey is NBUWBVVDVZANHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNS/c1-12-8-3-2-7-6(9(8)10)4-5-11-7/h2-3,11H,4-5H2,1H3.
What are the key properties of 4-chloro-5-methylsulfanyl-2,3-dihydro-1H-indole?
4-chloro-5-methylsulfanyl-2,3-dihydro-1H-indole has a molecular weight of 199.71 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methylsulfanyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 18940897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).