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

C9H10S — CID 18792679

IUPAC2,3-dihydro-1H-indene-2-thiol
SMILESSC1Cc2ccccc2C1
InChIInChI=1S/C9H10S/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4,9-10H,5-6H2
InChIKeyJQITYXAHMGVHIR-UHFFFAOYSA-N
MW150.25 g/mol
LogP2.08
Rot. Bonds

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

2,3-dihydro-1H-indene-2-thiol (PubChem CID 18792679) has the molecular formula C9H10S and a molecular weight of 150.25 g/mol. Its IUPAC name is 2,3-dihydro-1H-indene-2-thiol.

Molecular Properties

Compound Name2,3-dihydro-1H-indene-2-thiol
PubChem CID18792679
Molecular FormulaC9H10S
Molecular Weight150.25 g/mol
Exact Mass150.05
IUPAC Name2,3-dihydro-1H-indene-2-thiol
SMILESSC1Cc2ccccc2C1
InChIInChI=1S/C9H10S/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4,9-10H,5-6H2
InChIKeyJQITYXAHMGVHIR-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 51
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 2,3-dihydro-1H-indene-2-thiol?
The IUPAC name of 2,3-dihydro-1H-indene-2-thiol (CID 18792679) is 2,3-dihydro-1H-indene-2-thiol.
What is the SMILES notation for 2,3-dihydro-1H-indene-2-thiol?
The canonical SMILES for 2,3-dihydro-1H-indene-2-thiol is SC1Cc2ccccc2C1.
What is the InChIKey of 2,3-dihydro-1H-indene-2-thiol?
The InChIKey is JQITYXAHMGVHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10S/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4,9-10H,5-6H2.
What are the key properties of 2,3-dihydro-1H-indene-2-thiol?
2,3-dihydro-1H-indene-2-thiol has a molecular weight of 150.25 g/mol, XLogP of 2.08, 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-2-thiol is sourced from PubChem (CID 18792679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).