1,3-diphenyl-3H-indole-2-thione

C20H15NS — CID 71336788

IUPAC1,3-diphenyl-3H-indole-2-thione
SMILESS=C1C(c2ccccc2)c2ccccc2N1c1ccccc1
InChIInChI=1S/C20H15NS/c22-20-19(15-9-3-1-4-10-15)17-13-7-8-14-18(17)21(20)16-11-5-2-6-12-16/h1-14,19H
InChIKeyVSEBYRKHAMQAAC-UHFFFAOYSA-N
MW301.41 g/mol
LogP5.30
Rot. Bonds2

About 1,3-diphenyl-3H-indole-2-thione

1,3-diphenyl-3H-indole-2-thione (PubChem CID 71336788) has the molecular formula C20H15NS and a molecular weight of 301.41 g/mol. Its IUPAC name is 1,3-diphenyl-3H-indole-2-thione.

Molecular Properties

Compound Name1,3-diphenyl-3H-indole-2-thione
PubChem CID71336788
Molecular FormulaC20H15NS
Molecular Weight301.41 g/mol
Exact Mass301.09
IUPAC Name1,3-diphenyl-3H-indole-2-thione
SMILESS=C1C(c2ccccc2)c2ccccc2N1c1ccccc1
InChIInChI=1S/C20H15NS/c22-20-19(15-9-3-1-4-10-15)17-13-7-8-14-18(17)21(20)16-11-5-2-6-12-16/h1-14,19H
InChIKeyVSEBYRKHAMQAAC-UHFFFAOYSA-N
XLogP5.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.41
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-3H-indole-2-thione?
The IUPAC name of 1,3-diphenyl-3H-indole-2-thione (CID 71336788) is 1,3-diphenyl-3H-indole-2-thione.
What is the SMILES notation for 1,3-diphenyl-3H-indole-2-thione?
The canonical SMILES for 1,3-diphenyl-3H-indole-2-thione is S=C1C(c2ccccc2)c2ccccc2N1c1ccccc1.
What is the InChIKey of 1,3-diphenyl-3H-indole-2-thione?
The InChIKey is VSEBYRKHAMQAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NS/c22-20-19(15-9-3-1-4-10-15)17-13-7-8-14-18(17)21(20)16-11-5-2-6-12-16/h1-14,19H.
What are the key properties of 1,3-diphenyl-3H-indole-2-thione?
1,3-diphenyl-3H-indole-2-thione has a molecular weight of 301.41 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-3H-indole-2-thione is sourced from PubChem (CID 71336788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).