methylthiourea;1-phenylimidazolidine

C11H18N4S — CID 88712214

IUPACmethylthiourea;1-phenylimidazolidine
SMILESCNC(N)=S.c1ccc(N2CCNC2)cc1
InChIInChI=1S/C9H12N2.C2H6N2S/c1-2-4-9(5-3-1)11-7-6-10-8-11;1-4-2(3)5/h1-5,10H,6-8H2;1H3,(H3,3,4,5)
InChIKeyDRRCACUIIPIZND-UHFFFAOYSA-N
MW238.36 g/mol
LogP0.50
Rot. Bonds1

About methylthiourea;1-phenylimidazolidine

methylthiourea;1-phenylimidazolidine (PubChem CID 88712214) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is methylthiourea;1-phenylimidazolidine.

Molecular Properties

Compound Namemethylthiourea;1-phenylimidazolidine
PubChem CID88712214
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC Namemethylthiourea;1-phenylimidazolidine
SMILESCNC(N)=S.c1ccc(N2CCNC2)cc1
InChIInChI=1S/C9H12N2.C2H6N2S/c1-2-4-9(5-3-1)11-7-6-10-8-11;1-4-2(3)5/h1-5,10H,6-8H2;1H3,(H3,3,4,5)
InChIKeyDRRCACUIIPIZND-UHFFFAOYSA-N
XLogP0.50
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 50.50
H-Bond Donors ≤ 53
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 methylthiourea;1-phenylimidazolidine?
The IUPAC name of methylthiourea;1-phenylimidazolidine (CID 88712214) is methylthiourea;1-phenylimidazolidine.
What is the SMILES notation for methylthiourea;1-phenylimidazolidine?
The canonical SMILES for methylthiourea;1-phenylimidazolidine is CNC(N)=S.c1ccc(N2CCNC2)cc1.
What is the InChIKey of methylthiourea;1-phenylimidazolidine?
The InChIKey is DRRCACUIIPIZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2.C2H6N2S/c1-2-4-9(5-3-1)11-7-6-10-8-11;1-4-2(3)5/h1-5,10H,6-8H2;1H3,(H3,3,4,5).
What are the key properties of methylthiourea;1-phenylimidazolidine?
methylthiourea;1-phenylimidazolidine has a molecular weight of 238.36 g/mol, XLogP of 0.50, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylthiourea;1-phenylimidazolidine is sourced from PubChem (CID 88712214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).