2-(2-chlorophenyl)-1H-indole-3-thiol

C14H10ClNS — CID 70090682

IUPAC2-(2-chlorophenyl)-1H-indole-3-thiol
SMILESSc1c(-c2ccccc2Cl)[nH]c2ccccc12
InChIInChI=1S/C14H10ClNS/c15-11-7-3-1-5-9(11)13-14(17)10-6-2-4-8-12(10)16-13/h1-8,16-17H
InChIKeySEVYXCQSVNJTBI-UHFFFAOYSA-N
MW259.76 g/mol
LogP4.78
Rot. Bonds1

About 2-(2-chlorophenyl)-1H-indole-3-thiol

2-(2-chlorophenyl)-1H-indole-3-thiol (PubChem CID 70090682) has the molecular formula C14H10ClNS and a molecular weight of 259.76 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1H-indole-3-thiol.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1H-indole-3-thiol
PubChem CID70090682
Molecular FormulaC14H10ClNS
Molecular Weight259.76 g/mol
Exact Mass259.02
IUPAC Name2-(2-chlorophenyl)-1H-indole-3-thiol
SMILESSc1c(-c2ccccc2Cl)[nH]c2ccccc12
InChIInChI=1S/C14H10ClNS/c15-11-7-3-1-5-9(11)13-14(17)10-6-2-4-8-12(10)16-13/h1-8,16-17H
InChIKeySEVYXCQSVNJTBI-UHFFFAOYSA-N
XLogP4.78
TPSA15.79 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(2-chlorophenyl)-1H-indole-3-thiol with MolForge

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

Launch Full Analysis

Related Compounds

2,3-bis(2-chlorophenyl)-1H-indole
CID 132600701
2-(2-chlorophenyl)-4,9-dihydro-[1,3]thiazino[6,5-b]indole
CID 86076766
3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyridine
CID 91667303
2-(2-chlorophenyl)-5-phenyl-1H-indole-3-carbaldehyde
CID 5188805
4-bromo-2-(2-chlorophenyl)-1H-indole
CID 59689098
9H-carbazole
CID 66668984
[1-(2-chlorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanol
CID 10686284
3-(2-chlorophenyl)-2-hexyl-1H-indole
CID 86023590
2-(2-chlorophenyl)-5-ethyl-1H-indole-3-carbaldehyde
CID 3826061
2-(2-chlorophenyl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde
CID 3712734
9H-carbazole;bis(9H-fluorene)
CID 158703465
4-chloro-5-(2-chlorophenyl)-1H-pyrazole
CID 22916491

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1H-indole-3-thiol?
The IUPAC name of 2-(2-chlorophenyl)-1H-indole-3-thiol (CID 70090682) is 2-(2-chlorophenyl)-1H-indole-3-thiol.
What is the SMILES notation for 2-(2-chlorophenyl)-1H-indole-3-thiol?
The canonical SMILES for 2-(2-chlorophenyl)-1H-indole-3-thiol is Sc1c(-c2ccccc2Cl)[nH]c2ccccc12.
What is the InChIKey of 2-(2-chlorophenyl)-1H-indole-3-thiol?
The InChIKey is SEVYXCQSVNJTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNS/c15-11-7-3-1-5-9(11)13-14(17)10-6-2-4-8-12(10)16-13/h1-8,16-17H.
What are the key properties of 2-(2-chlorophenyl)-1H-indole-3-thiol?
2-(2-chlorophenyl)-1H-indole-3-thiol has a molecular weight of 259.76 g/mol, XLogP of 4.78, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1H-indole-3-thiol is sourced from PubChem (CID 70090682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).