1,3-diphenyl-3-phenyliminopropane-1-thione

C21H17NS — CID 91607998

IUPAC1,3-diphenyl-3-phenyliminopropane-1-thione
SMILESS=C(C/C(=N\c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17NS/c23-21(18-12-6-2-7-13-18)16-20(17-10-4-1-5-11-17)22-19-14-8-3-9-15-19/h1-15H,16H2/b22-20+
InChIKeyDBDBSQLMASHUFS-LSDHQDQOSA-N
MW315.44 g/mol
LogP5.62
Rot. Bonds5

About 1,3-diphenyl-3-phenyliminopropane-1-thione

1,3-diphenyl-3-phenyliminopropane-1-thione (PubChem CID 91607998) has the molecular formula C21H17NS and a molecular weight of 315.44 g/mol. Its IUPAC name is 1,3-diphenyl-3-phenyliminopropane-1-thione.

Molecular Properties

Compound Name1,3-diphenyl-3-phenyliminopropane-1-thione
PubChem CID91607998
Molecular FormulaC21H17NS
Molecular Weight315.44 g/mol
Exact Mass315.11
IUPAC Name1,3-diphenyl-3-phenyliminopropane-1-thione
SMILESS=C(C/C(=N\c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17NS/c23-21(18-12-6-2-7-13-18)16-20(17-10-4-1-5-11-17)22-19-14-8-3-9-15-19/h1-15H,16H2/b22-20+
InChIKeyDBDBSQLMASHUFS-LSDHQDQOSA-N
XLogP5.62
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.44
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1,3-diphenyl-3-phenyliminopropane-1-thione 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

N-(Diphenylmethylene)aniline
CID 219140
9-(Phenylimino)fluorene
CID 225986
N,1-diphenylethan-1-imine
CID 555698
2,4-Diphenyl-2,3-dihydro-1,5-benzothiazepine
CID 611171
N-p-Tolyl-2,2-diphenylvinylideneamine
CID 344832
N,N'-Terephthalylidenedianiline
CID 291023
N-Benzylidene-4-biphenylamine
CID 292639
4-Hexyl-4'-[2-(4-isothiocyanatophenyl)ethyl]-1,1'-biphenyl
CID 3907791
Indolo(3,2-b)carbazole
CID 114764
N1,N4-Dibenzylidenebenzene-1,4-diamine
CID 272373
2,4-Diphenyl-3H-1,5-benzodiazepine
CID 364834
Nitrone, triphenyl-
CID 244975

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-3-phenyliminopropane-1-thione?
The IUPAC name of 1,3-diphenyl-3-phenyliminopropane-1-thione (CID 91607998) is 1,3-diphenyl-3-phenyliminopropane-1-thione.
What is the SMILES notation for 1,3-diphenyl-3-phenyliminopropane-1-thione?
The canonical SMILES for 1,3-diphenyl-3-phenyliminopropane-1-thione is S=C(C/C(=N\c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 1,3-diphenyl-3-phenyliminopropane-1-thione?
The InChIKey is DBDBSQLMASHUFS-LSDHQDQOSA-N. The full InChI is InChI=1S/C21H17NS/c23-21(18-12-6-2-7-13-18)16-20(17-10-4-1-5-11-17)22-19-14-8-3-9-15-19/h1-15H,16H2/b22-20+.
What are the key properties of 1,3-diphenyl-3-phenyliminopropane-1-thione?
1,3-diphenyl-3-phenyliminopropane-1-thione has a molecular weight of 315.44 g/mol, XLogP of 5.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-3-phenyliminopropane-1-thione is sourced from PubChem (CID 91607998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).