4-[[4-(dimethylamino)phenyl]-(1,3,5-trithian-2-ylidene)methyl]-N,N-dimethylaniline

C20H24N2S3 — CID 10834170

IUPAC4-[[4-(dimethylamino)phenyl]-(1,3,5-trithian-2-ylidene)methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(=C2SCSCS2)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C20H24N2S3/c1-21(2)17-9-5-15(6-10-17)19(20-24-13-23-14-25-20)16-7-11-18(12-8-16)22(3)4/h5-12H,13-14H2,1-4H3
InChIKeyNTTCGRAALOOUCX-UHFFFAOYSA-N
MW388.63 g/mol
LogP5.66
Rot. Bonds4

About 4-[[4-(dimethylamino)phenyl]-(1,3,5-trithian-2-ylidene)methyl]-N,N-dimethylaniline

4-[[4-(dimethylamino)phenyl]-(1,3,5-trithian-2-ylidene)methyl]-N,N-dimethylaniline (PubChem CID 10834170) has the molecular formula C20H24N2S3 and a molecular weight of 388.63 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)phenyl]-(1,3,5-trithian-2-ylidene)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[4-(dimethylamino)phenyl]-(1,3,5-trithian-2-ylidene)methyl]-N,N-dimethylaniline
PubChem CID10834170
Molecular FormulaC20H24N2S3
Molecular Weight388.63 g/mol
Exact Mass388.11
IUPAC Name4-[[4-(dimethylamino)phenyl]-(1,3,5-trithian-2-ylidene)methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(=C2SCSCS2)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C20H24N2S3/c1-21(2)17-9-5-15(6-10-17)19(20-24-13-23-14-25-20)16-7-11-18(12-8-16)22(3)4/h5-12H,13-14H2,1-4H3
InChIKeyNTTCGRAALOOUCX-UHFFFAOYSA-N
XLogP5.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.63
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

Crystal Violet
CID 11057
Malachite Green
CID 11294
Leucomalachite green
CID 67215
Bis(p-(dimethylamino)phenyl)methane
CID 7567
Leucocrystal Violet
CID 69048
Gentian violet cation
CID 3468
Malachite green cation
CID 11295
4-Dimethylaminostilbene
CID 640024
N,N,N',N'-Tetramethylbenzidine
CID 9702
C.I. Solvent Violet 8
CID 164877
4,4'-Bis(dimethylamino)thiobenzophenone
CID 71045
4-Amino-4'-(N,N-dimethylamino)stilbene
CID 5376919

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)phenyl]-(1,3,5-trithian-2-ylidene)methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[[4-(dimethylamino)phenyl]-(1,3,5-trithian-2-ylidene)methyl]-N,N-dimethylaniline (CID 10834170) is 4-[[4-(dimethylamino)phenyl]-(1,3,5-trithian-2-ylidene)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[4-(dimethylamino)phenyl]-(1,3,5-trithian-2-ylidene)methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[[4-(dimethylamino)phenyl]-(1,3,5-trithian-2-ylidene)methyl]-N,N-dimethylaniline is CN(C)c1ccc(C(=C2SCSCS2)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 4-[[4-(dimethylamino)phenyl]-(1,3,5-trithian-2-ylidene)methyl]-N,N-dimethylaniline?
The InChIKey is NTTCGRAALOOUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2S3/c1-21(2)17-9-5-15(6-10-17)19(20-24-13-23-14-25-20)16-7-11-18(12-8-16)22(3)4/h5-12H,13-14H2,1-4H3.
What are the key properties of 4-[[4-(dimethylamino)phenyl]-(1,3,5-trithian-2-ylidene)methyl]-N,N-dimethylaniline?
4-[[4-(dimethylamino)phenyl]-(1,3,5-trithian-2-ylidene)methyl]-N,N-dimethylaniline has a molecular weight of 388.63 g/mol, XLogP of 5.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)phenyl]-(1,3,5-trithian-2-ylidene)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 10834170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).