2,3-dihydro-1H-indene-1-thiol

C9H10S — CID 14954677

IUPAC2,3-dihydro-1H-indene-1-thiol
SMILESSC1CCc2ccccc21
InChIInChI=1S/C9H10S/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4,9-10H,5-6H2
InChIKeyUHWWKRHQAPAMPC-UHFFFAOYSA-N
MW150.25 g/mol
LogP2.60
Rot. Bonds

About 2,3-dihydro-1H-indene-1-thiol

2,3-dihydro-1H-indene-1-thiol (PubChem CID 14954677) has the molecular formula C9H10S and a molecular weight of 150.25 g/mol. Its IUPAC name is 2,3-dihydro-1H-indene-1-thiol.

Molecular Properties

Compound Name2,3-dihydro-1H-indene-1-thiol
PubChem CID14954677
Molecular FormulaC9H10S
Molecular Weight150.25 g/mol
Exact Mass150.05
IUPAC Name2,3-dihydro-1H-indene-1-thiol
SMILESSC1CCc2ccccc21
InChIInChI=1S/C9H10S/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4,9-10H,5-6H2
InChIKeyUHWWKRHQAPAMPC-UHFFFAOYSA-N
XLogP2.60
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.25
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,3-dihydro-1H-indene-1-thiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indene-1-thiol?
The IUPAC name of 2,3-dihydro-1H-indene-1-thiol (CID 14954677) is 2,3-dihydro-1H-indene-1-thiol.
What is the SMILES notation for 2,3-dihydro-1H-indene-1-thiol?
The canonical SMILES for 2,3-dihydro-1H-indene-1-thiol is SC1CCc2ccccc21.
What is the InChIKey of 2,3-dihydro-1H-indene-1-thiol?
The InChIKey is UHWWKRHQAPAMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10S/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4,9-10H,5-6H2.
What are the key properties of 2,3-dihydro-1H-indene-1-thiol?
2,3-dihydro-1H-indene-1-thiol has a molecular weight of 150.25 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indene-1-thiol is sourced from PubChem (CID 14954677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).