2-(5-chlorothiophen-2-yl)-2,3-dihydro-1H-indole

C12H10ClNS — CID 4018143

IUPAC2-(5-chlorothiophen-2-yl)-2,3-dihydro-1H-indole
SMILESClc1ccc(C2Cc3ccccc3N2)s1
InChIInChI=1S/C12H10ClNS/c13-12-6-5-11(15-12)10-7-8-3-1-2-4-9(8)14-10/h1-6,10,14H,7H2
InChIKeyDWQCRDSYSCUIHL-UHFFFAOYSA-N
MW235.74 g/mol
LogP4.11
Rot. Bonds1

About 2-(5-chlorothiophen-2-yl)-2,3-dihydro-1H-indole

2-(5-chlorothiophen-2-yl)-2,3-dihydro-1H-indole (PubChem CID 4018143) has the molecular formula C12H10ClNS and a molecular weight of 235.74 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-2,3-dihydro-1H-indole
PubChem CID4018143
Molecular FormulaC12H10ClNS
Molecular Weight235.74 g/mol
Exact Mass235.02
IUPAC Name2-(5-chlorothiophen-2-yl)-2,3-dihydro-1H-indole
SMILESClc1ccc(C2Cc3ccccc3N2)s1
InChIInChI=1S/C12H10ClNS/c13-12-6-5-11(15-12)10-7-8-3-1-2-4-9(8)14-10/h1-6,10,14H,7H2
InChIKeyDWQCRDSYSCUIHL-UHFFFAOYSA-N
XLogP4.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.74
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-2,3-dihydro-1H-indole?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-2,3-dihydro-1H-indole (CID 4018143) is 2-(5-chlorothiophen-2-yl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-2,3-dihydro-1H-indole?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-2,3-dihydro-1H-indole is Clc1ccc(C2Cc3ccccc3N2)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-2,3-dihydro-1H-indole?
The InChIKey is DWQCRDSYSCUIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNS/c13-12-6-5-11(15-12)10-7-8-3-1-2-4-9(8)14-10/h1-6,10,14H,7H2.
What are the key properties of 2-(5-chlorothiophen-2-yl)-2,3-dihydro-1H-indole?
2-(5-chlorothiophen-2-yl)-2,3-dihydro-1H-indole has a molecular weight of 235.74 g/mol, XLogP of 4.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 4018143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).