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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Related Compounds

4-[3-(azepan-1-yl)propyl]-2,3-dihydro-1H-indole
CID 115105473
N-cyclobutyl-3-(2,3-dihydro-1H-indol-4-yl)propanamide
CID 115105482
4-(piperidin-1-ylmethyl)-2,3-dihydro-1H-indole
CID 115103996
5-(2-phenylethyl)-1,2,3,4-tetrahydroquinoline
CID 106777836
2-methyl-4-(2,3,4,5-tetrahydro-1H-1-benzazepin-6-yl)butan-2-ol
CID 105493478
1,2,3,4-tetrahydroquinolin-5-ylmethanamine;dihydrochloride
CID 43810457
1-(azepan-1-yl)-2-(2,3-dihydro-1H-indol-4-yl)ethanone
CID 115105355
4-(2,4,6-triethylphenyl)-2,3-dihydro-1H-indole
CID 116698620
2,2-dimethyl-N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)butan-1-amine
CID 103462222
5-[(3,4-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106778070
2,3,4,5-tetrahydro-1H-1-benzazepine-6-carbaldehyde
CID 84655259
1-(2,3-dihydro-1H-indol-4-ylamino)-2-methylpropan-2-ol
CID 171813583

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).