1-[2-(2-methylphenoxy)ethyl]imidazolidine-2-thione

C12H16N2OS — CID 739239

IUPAC1-[2-(2-methylphenoxy)ethyl]imidazolidine-2-thione
SMILESCc1ccccc1OCCN1CCNC1=S
InChIInChI=1S/C12H16N2OS/c1-10-4-2-3-5-11(10)15-9-8-14-7-6-13-12(14)16/h2-5H,6-9H2,1H3,(H,13,16)
InChIKeyOCNVPCHUCBDLBR-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.56
Rot. Bonds4

About 1-[2-(2-methylphenoxy)ethyl]imidazolidine-2-thione

1-[2-(2-methylphenoxy)ethyl]imidazolidine-2-thione (PubChem CID 739239) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 1-[2-(2-methylphenoxy)ethyl]imidazolidine-2-thione.

Molecular Properties

Compound Name1-[2-(2-methylphenoxy)ethyl]imidazolidine-2-thione
PubChem CID739239
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name1-[2-(2-methylphenoxy)ethyl]imidazolidine-2-thione
SMILESCc1ccccc1OCCN1CCNC1=S
InChIInChI=1S/C12H16N2OS/c1-10-4-2-3-5-11(10)15-9-8-14-7-6-13-12(14)16/h2-5H,6-9H2,1H3,(H,13,16)
InChIKeyOCNVPCHUCBDLBR-UHFFFAOYSA-N
XLogP1.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.56
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-[2-(2-methylphenoxy)ethyl]imidazolidine-2-thione?
The IUPAC name of 1-[2-(2-methylphenoxy)ethyl]imidazolidine-2-thione (CID 739239) is 1-[2-(2-methylphenoxy)ethyl]imidazolidine-2-thione.
What is the SMILES notation for 1-[2-(2-methylphenoxy)ethyl]imidazolidine-2-thione?
The canonical SMILES for 1-[2-(2-methylphenoxy)ethyl]imidazolidine-2-thione is Cc1ccccc1OCCN1CCNC1=S.
What is the InChIKey of 1-[2-(2-methylphenoxy)ethyl]imidazolidine-2-thione?
The InChIKey is OCNVPCHUCBDLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-10-4-2-3-5-11(10)15-9-8-14-7-6-13-12(14)16/h2-5H,6-9H2,1H3,(H,13,16).
What are the key properties of 1-[2-(2-methylphenoxy)ethyl]imidazolidine-2-thione?
1-[2-(2-methylphenoxy)ethyl]imidazolidine-2-thione has a molecular weight of 236.34 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylphenoxy)ethyl]imidazolidine-2-thione is sourced from PubChem (CID 739239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).