3,4-diphenyl-1,3-thiazole-2-thione

C15H11NS2 — CID 3765883

IUPAC3,4-diphenyl-1,3-thiazole-2-thione
SMILESS=c1scc(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C15H11NS2/c17-15-16(13-9-5-2-6-10-13)14(11-18-15)12-7-3-1-4-8-12/h1-11H
InChIKeyDLZDGLSUULSGQI-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.94
Rot. Bonds2

About 3,4-diphenyl-1,3-thiazole-2-thione

3,4-diphenyl-1,3-thiazole-2-thione (PubChem CID 3765883) has the molecular formula C15H11NS2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3,4-diphenyl-1,3-thiazole-2-thione.

Molecular Properties

Compound Name3,4-diphenyl-1,3-thiazole-2-thione
PubChem CID3765883
Molecular FormulaC15H11NS2
Molecular Weight269.39 g/mol
Exact Mass269.03
IUPAC Name3,4-diphenyl-1,3-thiazole-2-thione
SMILESS=c1scc(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C15H11NS2/c17-15-16(13-9-5-2-6-10-13)14(11-18-15)12-7-3-1-4-8-12/h1-11H
InChIKeyDLZDGLSUULSGQI-UHFFFAOYSA-N
XLogP4.94
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3,4-diphenyl-1,3-thiazole-2-thione?
The IUPAC name of 3,4-diphenyl-1,3-thiazole-2-thione (CID 3765883) is 3,4-diphenyl-1,3-thiazole-2-thione.
What is the SMILES notation for 3,4-diphenyl-1,3-thiazole-2-thione?
The canonical SMILES for 3,4-diphenyl-1,3-thiazole-2-thione is S=c1scc(-c2ccccc2)n1-c1ccccc1.
What is the InChIKey of 3,4-diphenyl-1,3-thiazole-2-thione?
The InChIKey is DLZDGLSUULSGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NS2/c17-15-16(13-9-5-2-6-10-13)14(11-18-15)12-7-3-1-4-8-12/h1-11H.
What are the key properties of 3,4-diphenyl-1,3-thiazole-2-thione?
3,4-diphenyl-1,3-thiazole-2-thione has a molecular weight of 269.39 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diphenyl-1,3-thiazole-2-thione is sourced from PubChem (CID 3765883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).