[(Z)-2-benzylsulfanylethylideneamino]urea

C10H13N3OS — CID 5355680

IUPAC[(Z)-2-benzylsulfanylethylideneamino]urea
SMILESNC(=O)N/N=C\CSCc1ccccc1
InChIInChI=1S/C10H13N3OS/c11-10(14)13-12-6-7-15-8-9-4-2-1-3-5-9/h1-6H,7-8H2,(H3,11,13,14)/b12-6-
InChIKeyYUGJTRXFJHXFFM-SDQBBNPISA-N
MW223.30 g/mol
LogP1.57
Rot. Bonds5

About [(Z)-2-benzylsulfanylethylideneamino]urea

[(Z)-2-benzylsulfanylethylideneamino]urea (PubChem CID 5355680) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is [(Z)-2-benzylsulfanylethylideneamino]urea.

Molecular Properties

Compound Name[(Z)-2-benzylsulfanylethylideneamino]urea
PubChem CID5355680
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name[(Z)-2-benzylsulfanylethylideneamino]urea
SMILESNC(=O)N/N=C\CSCc1ccccc1
InChIInChI=1S/C10H13N3OS/c11-10(14)13-12-6-7-15-8-9-4-2-1-3-5-9/h1-6H,7-8H2,(H3,11,13,14)/b12-6-
InChIKeyYUGJTRXFJHXFFM-SDQBBNPISA-N
XLogP1.57
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Hydrazinecarboxamide, 2-(3-phenyl-2-propenylidene)-
CID 9568139
Benzaldehyde semicarbazone
CID 6861419
[(Z)-[(2E,4E)-5-(4-fluorophenyl)penta-2,4-dienylidene]amino]urea
CID 5606732
(2E)-2-[(2E)-3-(4-fluorophenyl)prop-2-en-1-ylidene]hydrazinecarboxamide
CID 9667263
Cinnamaldehyde, semicarbazone
CID 235545
(2E)-2-(3-phenylpropylidene)hydrazinecarboxamide
CID 9638518
(Aminocarbonyl)benzohydrazonoyl methyl sulfide
CID 5409883
6-(Benzylsulfanyl)-5-(methylsulfanyl)-1,2,4-triazin-3(2h)-one
CID 267926
[(Z)-benzylideneamino]urea
CID 5369387
2-(Phenylmethylene)-1-hydrazinecarboxamide
CID 74084
Phenylmethylsemicarbazone
CID 9989784
4-(Methylthio)benzaldehyde semicarbazone
CID 6907495

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-benzylsulfanylethylideneamino]urea?
The IUPAC name of [(Z)-2-benzylsulfanylethylideneamino]urea (CID 5355680) is [(Z)-2-benzylsulfanylethylideneamino]urea.
What is the SMILES notation for [(Z)-2-benzylsulfanylethylideneamino]urea?
The canonical SMILES for [(Z)-2-benzylsulfanylethylideneamino]urea is NC(=O)N/N=C\CSCc1ccccc1.
What is the InChIKey of [(Z)-2-benzylsulfanylethylideneamino]urea?
The InChIKey is YUGJTRXFJHXFFM-SDQBBNPISA-N. The full InChI is InChI=1S/C10H13N3OS/c11-10(14)13-12-6-7-15-8-9-4-2-1-3-5-9/h1-6H,7-8H2,(H3,11,13,14)/b12-6-.
What are the key properties of [(Z)-2-benzylsulfanylethylideneamino]urea?
[(Z)-2-benzylsulfanylethylideneamino]urea has a molecular weight of 223.30 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-benzylsulfanylethylideneamino]urea is sourced from PubChem (CID 5355680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).