2-propyl-1H-indole-3-thiol

C11H13NS — CID 130013090

IUPAC2-propyl-1H-indole-3-thiol
SMILESCCCc1[nH]c2ccccc2c1S
InChIInChI=1S/C11H13NS/c1-2-5-10-11(13)8-6-3-4-7-9(8)12-10/h3-4,6-7,12-13H,2,5H2,1H3
InChIKeyGYAXMCLUJBWBET-UHFFFAOYSA-N
MW191.30 g/mol
LogP3.41
Rot. Bonds2

About 2-propyl-1H-indole-3-thiol

2-propyl-1H-indole-3-thiol (PubChem CID 130013090) has the molecular formula C11H13NS and a molecular weight of 191.30 g/mol. Its IUPAC name is 2-propyl-1H-indole-3-thiol.

Molecular Properties

Compound Name2-propyl-1H-indole-3-thiol
PubChem CID130013090
Molecular FormulaC11H13NS
Molecular Weight191.30 g/mol
Exact Mass191.08
IUPAC Name2-propyl-1H-indole-3-thiol
SMILESCCCc1[nH]c2ccccc2c1S
InChIInChI=1S/C11H13NS/c1-2-5-10-11(13)8-6-3-4-7-9(8)12-10/h3-4,6-7,12-13H,2,5H2,1H3
InChIKeyGYAXMCLUJBWBET-UHFFFAOYSA-N
XLogP3.41
TPSA15.79 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-2-propyl-1H-indole
CID 65335384
3-[2,3,5,6-tetraoxo-4-(2-propyl-1H-indol-3-yl)cyclohexyl]-1H-indole-2-carboxylic acid
CID 57307773
bis(9H-carbazole);propane
CID 90987002
2,3-diethyl-1H-indole;hydrate
CID 70606554
2-methyl-3-propyl-1H-quinolin-4-one
CID 826058
3-hydroxy-2-octyl-1H-quinolin-4-one
CID 50915414
4-(2-propyl-1H-indol-3-yl)-1,3-oxazol-2-amine
CID 82220624
2-octyl-3-phenyl-1H-quinolin-4-one
CID 135391605
2-benzyl-3-butyl-1H-quinolin-4-one
CID 131850780
3,6-bis[2-(4-methylpentyl)-1H-indol-3-yl]cyclohexane-1,2,4,5-tetrone
CID 57020292
1-(2-butyl-1H-indol-3-yl)-2,2,2-trifluoroethanone
CID 67690251
butane;2,3-dimethyl-1H-indole
CID 143059445

Frequently Asked Questions

What is the IUPAC name of 2-propyl-1H-indole-3-thiol?
The IUPAC name of 2-propyl-1H-indole-3-thiol (CID 130013090) is 2-propyl-1H-indole-3-thiol.
What is the SMILES notation for 2-propyl-1H-indole-3-thiol?
The canonical SMILES for 2-propyl-1H-indole-3-thiol is CCCc1[nH]c2ccccc2c1S.
What is the InChIKey of 2-propyl-1H-indole-3-thiol?
The InChIKey is GYAXMCLUJBWBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NS/c1-2-5-10-11(13)8-6-3-4-7-9(8)12-10/h3-4,6-7,12-13H,2,5H2,1H3.
What are the key properties of 2-propyl-1H-indole-3-thiol?
2-propyl-1H-indole-3-thiol has a molecular weight of 191.30 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1H-indole-3-thiol is sourced from PubChem (CID 130013090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).