phenyl 2-sulfanylideneimidazolidine-1-carboxylate

C10H10N2O2S — CID 139667776

IUPACphenyl 2-sulfanylideneimidazolidine-1-carboxylate
SMILESO=C(Oc1ccccc1)N1CCNC1=S
InChIInChI=1S/C10H10N2O2S/c13-10(12-7-6-11-9(12)15)14-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,15)
InChIKeyJUXAXWWJSFDFRH-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.38
Rot. Bonds1

About phenyl 2-sulfanylideneimidazolidine-1-carboxylate

phenyl 2-sulfanylideneimidazolidine-1-carboxylate (PubChem CID 139667776) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is phenyl 2-sulfanylideneimidazolidine-1-carboxylate.

Molecular Properties

Compound Namephenyl 2-sulfanylideneimidazolidine-1-carboxylate
PubChem CID139667776
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Namephenyl 2-sulfanylideneimidazolidine-1-carboxylate
SMILESO=C(Oc1ccccc1)N1CCNC1=S
InChIInChI=1S/C10H10N2O2S/c13-10(12-7-6-11-9(12)15)14-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,15)
InChIKeyJUXAXWWJSFDFRH-UHFFFAOYSA-N
XLogP1.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze phenyl 2-sulfanylideneimidazolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

phenyl 2-oxo-1,3-diazepane-1-carboxylate
CID 58856696
diphenyl diazinane-1,2-dicarboxylate
CID 139696788
phenyl 2-oxopiperidine-1-carboxylate
CID 10036365
phenyl 3-carbonochloridoyl-2-oxoimidazolidine-1-carboxylate
CID 12771227
phenyl 2,3,5,8-tetrahydro-1H-1,4-diazocine-4-carboxylate
CID 123797784
diphenyl 6H-benzo[d][1,3]benzodiazepine-5,7-dicarboxylate
CID 67223885
(4-nitrophenyl) 2-oxoimidazolidine-1-carboxylate
CID 13464302
phenyl (2R)-3-sulfanylidenepyrrolidine-2-carboxylate
CID 87285957
(4-phenoxyphenyl) pyrrolidine-1-carboxylate
CID 54080617
phenyl 2-amino-2-methylpiperazine-1-carboxylate
CID 69325233
phenyl 4-propanoylpiperazine-1-carboxylate
CID 46228295
phenyl 3-methylidenepyrrolidine-1-carboxylate
CID 141203105

Frequently Asked Questions

What is the IUPAC name of phenyl 2-sulfanylideneimidazolidine-1-carboxylate?
The IUPAC name of phenyl 2-sulfanylideneimidazolidine-1-carboxylate (CID 139667776) is phenyl 2-sulfanylideneimidazolidine-1-carboxylate.
What is the SMILES notation for phenyl 2-sulfanylideneimidazolidine-1-carboxylate?
The canonical SMILES for phenyl 2-sulfanylideneimidazolidine-1-carboxylate is O=C(Oc1ccccc1)N1CCNC1=S.
What is the InChIKey of phenyl 2-sulfanylideneimidazolidine-1-carboxylate?
The InChIKey is JUXAXWWJSFDFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c13-10(12-7-6-11-9(12)15)14-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,15).
What are the key properties of phenyl 2-sulfanylideneimidazolidine-1-carboxylate?
phenyl 2-sulfanylideneimidazolidine-1-carboxylate has a molecular weight of 222.27 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-sulfanylideneimidazolidine-1-carboxylate is sourced from PubChem (CID 139667776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).