1H-indole-7-thiol

C8H7NS — CID 55287414

IUPAC1H-indole-7-thiol
SMILESSc1cccc2cc[nH]c12
InChIInChI=1S/C8H7NS/c10-7-3-1-2-6-4-5-9-8(6)7/h1-5,9-10H
InChIKeyBEPKJAXROVBBID-UHFFFAOYSA-N
MW149.22 g/mol
LogP2.46
Rot. Bonds

About 1H-indole-7-thiol

1H-indole-7-thiol (PubChem CID 55287414) has the molecular formula C8H7NS and a molecular weight of 149.22 g/mol. Its IUPAC name is 1H-indole-7-thiol.

Molecular Properties

Compound Name1H-indole-7-thiol
PubChem CID55287414
Molecular FormulaC8H7NS
Molecular Weight149.22 g/mol
Exact Mass149.03
IUPAC Name1H-indole-7-thiol
SMILESSc1cccc2cc[nH]c12
InChIInChI=1S/C8H7NS/c10-7-3-1-2-6-4-5-9-8(6)7/h1-5,9-10H
InChIKeyBEPKJAXROVBBID-UHFFFAOYSA-N
XLogP2.46
TPSA15.79 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 1H-indole-7-thiol?
The IUPAC name of 1H-indole-7-thiol (CID 55287414) is 1H-indole-7-thiol.
What is the SMILES notation for 1H-indole-7-thiol?
The canonical SMILES for 1H-indole-7-thiol is Sc1cccc2cc[nH]c12.
What is the InChIKey of 1H-indole-7-thiol?
The InChIKey is BEPKJAXROVBBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NS/c10-7-3-1-2-6-4-5-9-8(6)7/h1-5,9-10H.
What are the key properties of 1H-indole-7-thiol?
1H-indole-7-thiol has a molecular weight of 149.22 g/mol, XLogP of 2.46, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indole-7-thiol is sourced from PubChem (CID 55287414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).