1-(4-methoxyphenyl)imidazolidine-2-thione

C10H12N2OS — CID 53443346

IUPAC1-(4-methoxyphenyl)imidazolidine-2-thione
SMILESCOc1ccc(N2CCNC2=S)cc1
InChIInChI=1S/C10H12N2OS/c1-13-9-4-2-8(3-5-9)12-7-6-11-10(12)14/h2-5H,6-7H2,1H3,(H,11,14)
InChIKeyIKVPFWCMTXFKMS-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.39
Rot. Bonds2

About 1-(4-methoxyphenyl)imidazolidine-2-thione

1-(4-methoxyphenyl)imidazolidine-2-thione (PubChem CID 53443346) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)imidazolidine-2-thione.

Molecular Properties

Compound Name1-(4-methoxyphenyl)imidazolidine-2-thione
PubChem CID53443346
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name1-(4-methoxyphenyl)imidazolidine-2-thione
SMILESCOc1ccc(N2CCNC2=S)cc1
InChIInChI=1S/C10H12N2OS/c1-13-9-4-2-8(3-5-9)12-7-6-11-10(12)14/h2-5H,6-7H2,1H3,(H,11,14)
InChIKeyIKVPFWCMTXFKMS-UHFFFAOYSA-N
XLogP1.39
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-(4-methoxyphenyl)imidazolidine-2-thione?
The IUPAC name of 1-(4-methoxyphenyl)imidazolidine-2-thione (CID 53443346) is 1-(4-methoxyphenyl)imidazolidine-2-thione.
What is the SMILES notation for 1-(4-methoxyphenyl)imidazolidine-2-thione?
The canonical SMILES for 1-(4-methoxyphenyl)imidazolidine-2-thione is COc1ccc(N2CCNC2=S)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)imidazolidine-2-thione?
The InChIKey is IKVPFWCMTXFKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-13-9-4-2-8(3-5-9)12-7-6-11-10(12)14/h2-5H,6-7H2,1H3,(H,11,14).
What are the key properties of 1-(4-methoxyphenyl)imidazolidine-2-thione?
1-(4-methoxyphenyl)imidazolidine-2-thione has a molecular weight of 208.29 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)imidazolidine-2-thione is sourced from PubChem (CID 53443346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).