5-[4-(dimethylamino)phenyl]imidazolidine-2,4-dithione

C11H13N3S2 — CID 3057431

IUPAC5-[4-(dimethylamino)phenyl]imidazolidine-2,4-dithione
SMILESCN(C)c1ccc(C2NC(=S)NC2=S)cc1
InChIInChI=1S/C11H13N3S2/c1-14(2)8-5-3-7(4-6-8)9-10(15)13-11(16)12-9/h3-6,9H,1-2H3,(H2,12,13,15,16)
InChIKeyIPPWJQSQJCKDBT-UHFFFAOYSA-N
MW251.38 g/mol
LogP1.60
Rot. Bonds2

About 5-[4-(dimethylamino)phenyl]imidazolidine-2,4-dithione

5-[4-(dimethylamino)phenyl]imidazolidine-2,4-dithione (PubChem CID 3057431) has the molecular formula C11H13N3S2 and a molecular weight of 251.38 g/mol. Its IUPAC name is 5-[4-(dimethylamino)phenyl]imidazolidine-2,4-dithione.

Molecular Properties

Compound Name5-[4-(dimethylamino)phenyl]imidazolidine-2,4-dithione
PubChem CID3057431
Molecular FormulaC11H13N3S2
Molecular Weight251.38 g/mol
Exact Mass251.06
IUPAC Name5-[4-(dimethylamino)phenyl]imidazolidine-2,4-dithione
SMILESCN(C)c1ccc(C2NC(=S)NC2=S)cc1
InChIInChI=1S/C11H13N3S2/c1-14(2)8-5-3-7(4-6-8)9-10(15)13-11(16)12-9/h3-6,9H,1-2H3,(H2,12,13,15,16)
InChIKeyIPPWJQSQJCKDBT-UHFFFAOYSA-N
XLogP1.60
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 51.60
H-Bond Donors ≤ 52
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 5-[4-(dimethylamino)phenyl]imidazolidine-2,4-dithione?
The IUPAC name of 5-[4-(dimethylamino)phenyl]imidazolidine-2,4-dithione (CID 3057431) is 5-[4-(dimethylamino)phenyl]imidazolidine-2,4-dithione.
What is the SMILES notation for 5-[4-(dimethylamino)phenyl]imidazolidine-2,4-dithione?
The canonical SMILES for 5-[4-(dimethylamino)phenyl]imidazolidine-2,4-dithione is CN(C)c1ccc(C2NC(=S)NC2=S)cc1.
What is the InChIKey of 5-[4-(dimethylamino)phenyl]imidazolidine-2,4-dithione?
The InChIKey is IPPWJQSQJCKDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S2/c1-14(2)8-5-3-7(4-6-8)9-10(15)13-11(16)12-9/h3-6,9H,1-2H3,(H2,12,13,15,16).
What are the key properties of 5-[4-(dimethylamino)phenyl]imidazolidine-2,4-dithione?
5-[4-(dimethylamino)phenyl]imidazolidine-2,4-dithione has a molecular weight of 251.38 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylamino)phenyl]imidazolidine-2,4-dithione is sourced from PubChem (CID 3057431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).