2-prop-2-enylsulfanylethylurea

C6H12N2OS — CID 88807417

IUPAC2-prop-2-enylsulfanylethylurea
SMILESC=CCSCCNC(N)=O
InChIInChI=1S/C6H12N2OS/c1-2-4-10-5-3-8-6(7)9/h2H,1,3-5H2,(H3,7,8,9)
InChIKeyGLSYZZATNHBRKT-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.57
Rot. Bonds5

About 2-prop-2-enylsulfanylethylurea

2-prop-2-enylsulfanylethylurea (PubChem CID 88807417) has the molecular formula C6H12N2OS and a molecular weight of 160.24 g/mol. Its IUPAC name is 2-prop-2-enylsulfanylethylurea.

Molecular Properties

Compound Name2-prop-2-enylsulfanylethylurea
PubChem CID88807417
Molecular FormulaC6H12N2OS
Molecular Weight160.24 g/mol
Exact Mass160.07
IUPAC Name2-prop-2-enylsulfanylethylurea
SMILESC=CCSCCNC(N)=O
InChIInChI=1S/C6H12N2OS/c1-2-4-10-5-3-8-6(7)9/h2H,1,3-5H2,(H3,7,8,9)
InChIKeyGLSYZZATNHBRKT-UHFFFAOYSA-N
XLogP0.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-prop-2-enylsulfanylethylurea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylsulfanylethylurea?
The IUPAC name of 2-prop-2-enylsulfanylethylurea (CID 88807417) is 2-prop-2-enylsulfanylethylurea.
What is the SMILES notation for 2-prop-2-enylsulfanylethylurea?
The canonical SMILES for 2-prop-2-enylsulfanylethylurea is C=CCSCCNC(N)=O.
What is the InChIKey of 2-prop-2-enylsulfanylethylurea?
The InChIKey is GLSYZZATNHBRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2OS/c1-2-4-10-5-3-8-6(7)9/h2H,1,3-5H2,(H3,7,8,9).
What are the key properties of 2-prop-2-enylsulfanylethylurea?
2-prop-2-enylsulfanylethylurea has a molecular weight of 160.24 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylsulfanylethylurea is sourced from PubChem (CID 88807417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).