3H-indene-5-carbothioamide

C10H9NS — CID 158848191

IUPAC3H-indene-5-carbothioamide
SMILESNC(=S)c1ccc2c(c1)CC=C2
InChIInChI=1S/C10H9NS/c11-10(12)9-5-4-7-2-1-3-8(7)6-9/h1-2,4-6H,3H2,(H2,11,12)
InChIKeyIZCLAQDRWNURCP-UHFFFAOYSA-N
MW175.26 g/mol
LogP1.89
Rot. Bonds1

About 3H-indene-5-carbothioamide

3H-indene-5-carbothioamide (PubChem CID 158848191) has the molecular formula C10H9NS and a molecular weight of 175.26 g/mol. Its IUPAC name is 3H-indene-5-carbothioamide.

Molecular Properties

Compound Name3H-indene-5-carbothioamide
PubChem CID158848191
Molecular FormulaC10H9NS
Molecular Weight175.26 g/mol
Exact Mass175.05
IUPAC Name3H-indene-5-carbothioamide
SMILESNC(=S)c1ccc2c(c1)CC=C2
InChIInChI=1S/C10H9NS/c11-10(12)9-5-4-7-2-1-3-8(7)6-9/h1-2,4-6H,3H2,(H2,11,12)
InChIKeyIZCLAQDRWNURCP-UHFFFAOYSA-N
XLogP1.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3H-indene-5-carbothioamide 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 3H-indene-5-carbothioamide?
The IUPAC name of 3H-indene-5-carbothioamide (CID 158848191) is 3H-indene-5-carbothioamide.
What is the SMILES notation for 3H-indene-5-carbothioamide?
The canonical SMILES for 3H-indene-5-carbothioamide is NC(=S)c1ccc2c(c1)CC=C2.
What is the InChIKey of 3H-indene-5-carbothioamide?
The InChIKey is IZCLAQDRWNURCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NS/c11-10(12)9-5-4-7-2-1-3-8(7)6-9/h1-2,4-6H,3H2,(H2,11,12).
What are the key properties of 3H-indene-5-carbothioamide?
3H-indene-5-carbothioamide has a molecular weight of 175.26 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-indene-5-carbothioamide is sourced from PubChem (CID 158848191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).