3-(dimethylcarbamothioyl)-1-ethenyl-1-methylurea

C7H13N3OS — CID 88918918

IUPAC3-(dimethylcarbamothioyl)-1-ethenyl-1-methylurea
SMILESC=CN(C)C(=O)NC(=S)N(C)C
InChIInChI=1S/C7H13N3OS/c1-5-10(4)6(11)8-7(12)9(2)3/h5H,1H2,2-4H3,(H,8,11,12)
InChIKeyQIUVYUZRXXFTGV-UHFFFAOYSA-N
MW187.27 g/mol
LogP0.62
Rot. Bonds1

About 3-(dimethylcarbamothioyl)-1-ethenyl-1-methylurea

3-(dimethylcarbamothioyl)-1-ethenyl-1-methylurea (PubChem CID 88918918) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is 3-(dimethylcarbamothioyl)-1-ethenyl-1-methylurea.

Molecular Properties

Compound Name3-(dimethylcarbamothioyl)-1-ethenyl-1-methylurea
PubChem CID88918918
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC Name3-(dimethylcarbamothioyl)-1-ethenyl-1-methylurea
SMILESC=CN(C)C(=O)NC(=S)N(C)C
InChIInChI=1S/C7H13N3OS/c1-5-10(4)6(11)8-7(12)9(2)3/h5H,1H2,2-4H3,(H,8,11,12)
InChIKeyQIUVYUZRXXFTGV-UHFFFAOYSA-N
XLogP0.62
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 50.62
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 3-(dimethylcarbamothioyl)-1-ethenyl-1-methylurea?
The IUPAC name of 3-(dimethylcarbamothioyl)-1-ethenyl-1-methylurea (CID 88918918) is 3-(dimethylcarbamothioyl)-1-ethenyl-1-methylurea.
What is the SMILES notation for 3-(dimethylcarbamothioyl)-1-ethenyl-1-methylurea?
The canonical SMILES for 3-(dimethylcarbamothioyl)-1-ethenyl-1-methylurea is C=CN(C)C(=O)NC(=S)N(C)C.
What is the InChIKey of 3-(dimethylcarbamothioyl)-1-ethenyl-1-methylurea?
The InChIKey is QIUVYUZRXXFTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS/c1-5-10(4)6(11)8-7(12)9(2)3/h5H,1H2,2-4H3,(H,8,11,12).
What are the key properties of 3-(dimethylcarbamothioyl)-1-ethenyl-1-methylurea?
3-(dimethylcarbamothioyl)-1-ethenyl-1-methylurea has a molecular weight of 187.27 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylcarbamothioyl)-1-ethenyl-1-methylurea is sourced from PubChem (CID 88918918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).