2-(2,3-dihydro-1H-indol-4-yl)ethanethiol

C10H13NS — CID 167181499

IUPAC2-(2,3-dihydro-1H-indol-4-yl)ethanethiol
SMILESSCCc1cccc2c1CCN2
InChIInChI=1S/C10H13NS/c12-7-5-8-2-1-3-10-9(8)4-6-11-10/h1-3,11-12H,4-7H2
InChIKeyHWLLLFMALSDQSN-UHFFFAOYSA-N
MW179.29 g/mol
LogP2.13
Rot. Bonds2

About 2-(2,3-dihydro-1H-indol-4-yl)ethanethiol

2-(2,3-dihydro-1H-indol-4-yl)ethanethiol (PubChem CID 167181499) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-indol-4-yl)ethanethiol.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indol-4-yl)ethanethiol
PubChem CID167181499
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Name2-(2,3-dihydro-1H-indol-4-yl)ethanethiol
SMILESSCCc1cccc2c1CCN2
InChIInChI=1S/C10H13NS/c12-7-5-8-2-1-3-10-9(8)4-6-11-10/h1-3,11-12H,4-7H2
InChIKeyHWLLLFMALSDQSN-UHFFFAOYSA-N
XLogP2.13
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-indol-4-yl)ethanethiol?
The IUPAC name of 2-(2,3-dihydro-1H-indol-4-yl)ethanethiol (CID 167181499) is 2-(2,3-dihydro-1H-indol-4-yl)ethanethiol.
What is the SMILES notation for 2-(2,3-dihydro-1H-indol-4-yl)ethanethiol?
The canonical SMILES for 2-(2,3-dihydro-1H-indol-4-yl)ethanethiol is SCCc1cccc2c1CCN2.
What is the InChIKey of 2-(2,3-dihydro-1H-indol-4-yl)ethanethiol?
The InChIKey is HWLLLFMALSDQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS/c12-7-5-8-2-1-3-10-9(8)4-6-11-10/h1-3,11-12H,4-7H2.
What are the key properties of 2-(2,3-dihydro-1H-indol-4-yl)ethanethiol?
2-(2,3-dihydro-1H-indol-4-yl)ethanethiol has a molecular weight of 179.29 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-indol-4-yl)ethanethiol is sourced from PubChem (CID 167181499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).