[(E)-(4-methylsulfanylphenyl)methylideneamino]urea

C9H11N3OS — CID 6907495

IUPAC[(E)-(4-methylsulfanylphenyl)methylideneamino]urea
SMILESCSc1ccc(/C=N/NC(N)=O)cc1
InChIInChI=1S/C9H11N3OS/c1-14-8-4-2-7(3-5-8)6-11-12-9(10)13/h2-6H,1H3,(H3,10,12,13)/b11-6+
InChIKeyPVTKETMBAUGQMB-IZZDOVSWSA-N
MW209.27 g/mol
LogP1.41
Rot. Bonds3

About [(E)-(4-methylsulfanylphenyl)methylideneamino]urea

[(E)-(4-methylsulfanylphenyl)methylideneamino]urea (PubChem CID 6907495) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is [(E)-(4-methylsulfanylphenyl)methylideneamino]urea.

Molecular Properties

Compound Name[(E)-(4-methylsulfanylphenyl)methylideneamino]urea
PubChem CID6907495
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name[(E)-(4-methylsulfanylphenyl)methylideneamino]urea
SMILESCSc1ccc(/C=N/NC(N)=O)cc1
InChIInChI=1S/C9H11N3OS/c1-14-8-4-2-7(3-5-8)6-11-12-9(10)13/h2-6H,1H3,(H3,10,12,13)/b11-6+
InChIKeyPVTKETMBAUGQMB-IZZDOVSWSA-N
XLogP1.41
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Benzaldehyde semicarbazone
CID 6861419
Subathizone
CID 6474578
(Aminocarbonyl)benzohydrazonoyl methyl sulfide
CID 5409883
4-(Methylsulfanyl)benzaldehyde thiosemicarbazone
CID 6861647
[(E)-2-(4-methylphenyl)sulfanylethylideneamino]thiourea
CID 127032707
[(Z)-(4-ethylsulfonylphenyl)methyleneamino]thiourea
CID 5354104
[(Z)-(4-methylsulfonylphenyl)methyleneamino]thiourea
CID 5355167
4-(2-((Aminothioxomethyl)amino)-2-azavinyl}-1-(methylsulfonyl)benzene
CID 5351726
[(Z)-benzylideneamino]urea
CID 5369387
2-Benzylidenehydrazinecarboxamide
CID 74084
[(E)-[4-(4-methylphenyl)sulfanylphenyl]methylideneamino]urea
CID 10517257
N-[(E)-[4-(4-fluorophenyl)sulfanylphenyl]methylideneamino]formamide
CID 10636047

Frequently Asked Questions

What is the IUPAC name of [(E)-(4-methylsulfanylphenyl)methylideneamino]urea?
The IUPAC name of [(E)-(4-methylsulfanylphenyl)methylideneamino]urea (CID 6907495) is [(E)-(4-methylsulfanylphenyl)methylideneamino]urea.
What is the SMILES notation for [(E)-(4-methylsulfanylphenyl)methylideneamino]urea?
The canonical SMILES for [(E)-(4-methylsulfanylphenyl)methylideneamino]urea is CSc1ccc(/C=N/NC(N)=O)cc1.
What is the InChIKey of [(E)-(4-methylsulfanylphenyl)methylideneamino]urea?
The InChIKey is PVTKETMBAUGQMB-IZZDOVSWSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-14-8-4-2-7(3-5-8)6-11-12-9(10)13/h2-6H,1H3,(H3,10,12,13)/b11-6+.
What are the key properties of [(E)-(4-methylsulfanylphenyl)methylideneamino]urea?
[(E)-(4-methylsulfanylphenyl)methylideneamino]urea has a molecular weight of 209.27 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(4-methylsulfanylphenyl)methylideneamino]urea is sourced from PubChem (CID 6907495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).