4-methyl-4-phenylimidazolidine-2-thione

C10H12N2S — CID 3032605

IUPAC4-methyl-4-phenylimidazolidine-2-thione
SMILESCC1(c2ccccc2)CNC(=S)N1
InChIInChI=1S/C10H12N2S/c1-10(7-11-9(13)12-10)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,11,12,13)
InChIKeyTVFHYGQOWWPMMJ-UHFFFAOYSA-N
MW192.29 g/mol
LogP1.38
Rot. Bonds1

About 4-methyl-4-phenylimidazolidine-2-thione

4-methyl-4-phenylimidazolidine-2-thione (PubChem CID 3032605) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is 4-methyl-4-phenylimidazolidine-2-thione.

Molecular Properties

Compound Name4-methyl-4-phenylimidazolidine-2-thione
PubChem CID3032605
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name4-methyl-4-phenylimidazolidine-2-thione
SMILESCC1(c2ccccc2)CNC(=S)N1
InChIInChI=1S/C10H12N2S/c1-10(7-11-9(13)12-10)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,11,12,13)
InChIKeyTVFHYGQOWWPMMJ-UHFFFAOYSA-N
XLogP1.38
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 51.38
H-Bond Donors ≤ 52
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 4-methyl-4-phenylimidazolidine-2-thione?
The IUPAC name of 4-methyl-4-phenylimidazolidine-2-thione (CID 3032605) is 4-methyl-4-phenylimidazolidine-2-thione.
What is the SMILES notation for 4-methyl-4-phenylimidazolidine-2-thione?
The canonical SMILES for 4-methyl-4-phenylimidazolidine-2-thione is CC1(c2ccccc2)CNC(=S)N1.
What is the InChIKey of 4-methyl-4-phenylimidazolidine-2-thione?
The InChIKey is TVFHYGQOWWPMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c1-10(7-11-9(13)12-10)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,11,12,13).
What are the key properties of 4-methyl-4-phenylimidazolidine-2-thione?
4-methyl-4-phenylimidazolidine-2-thione has a molecular weight of 192.29 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-phenylimidazolidine-2-thione is sourced from PubChem (CID 3032605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).