[(Z)-C-[(4-chlorophenyl)methylsulfanylmethyl]-N-hydroxycarbonimidoyl]urea

C10H12ClN3O2S — CID 135684368

IUPAC[(Z)-C-[(4-chlorophenyl)methylsulfanylmethyl]-N-hydroxycarbonimidoyl]urea
SMILESNC(=O)N/C(CSCc1ccc(Cl)cc1)=N\O
InChIInChI=1S/C10H12ClN3O2S/c11-8-3-1-7(2-4-8)5-17-6-9(14-16)13-10(12)15/h1-4,16H,5-6H2,(H3,12,13,14,15)
InChIKeyLXSBSTGSIJELED-UHFFFAOYSA-N
MW273.75 g/mol
LogP2.03
Rot. Bonds4

About [(Z)-C-[(4-chlorophenyl)methylsulfanylmethyl]-N-hydroxycarbonimidoyl]urea

[(Z)-C-[(4-chlorophenyl)methylsulfanylmethyl]-N-hydroxycarbonimidoyl]urea (PubChem CID 135684368) has the molecular formula C10H12ClN3O2S and a molecular weight of 273.75 g/mol. Its IUPAC name is [(Z)-C-[(4-chlorophenyl)methylsulfanylmethyl]-N-hydroxycarbonimidoyl]urea.

Molecular Properties

Compound Name[(Z)-C-[(4-chlorophenyl)methylsulfanylmethyl]-N-hydroxycarbonimidoyl]urea
PubChem CID135684368
Molecular FormulaC10H12ClN3O2S
Molecular Weight273.75 g/mol
Exact Mass273.03
IUPAC Name[(Z)-C-[(4-chlorophenyl)methylsulfanylmethyl]-N-hydroxycarbonimidoyl]urea
SMILESNC(=O)N/C(CSCc1ccc(Cl)cc1)=N\O
InChIInChI=1S/C10H12ClN3O2S/c11-8-3-1-7(2-4-8)5-17-6-9(14-16)13-10(12)15/h1-4,16H,5-6H2,(H3,12,13,14,15)
InChIKeyLXSBSTGSIJELED-UHFFFAOYSA-N
XLogP2.03
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.75
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-C-[(4-chlorophenyl)methylsulfanylmethyl]-N-hydroxycarbonimidoyl]urea
CID 135520642
N-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide
CID 2272588
1-[(4-chlorophenyl)methylsulfanyl]pentan-2-one
CID 114790785
(2R)-N-carbamoyl-2-[(4-chlorophenyl)methylsulfanyl]-3-methylbutanamide
CID 8580236
2-[(4-chlorophenyl)methylsulfanyl]-N-(2-chloroprop-2-enyl)acetamide
CID 115637013
methyl 2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]acetate
CID 8552014
2-[(4-chlorophenyl)methylsulfanyl]-1-(4-propylphenyl)ethanone
CID 115569345
2-methylprop-2-enyl 2-[(4-chlorophenyl)methylsulfanyl]acetate
CID 78790693
2-benzylsulfanyl-N-[(4-chlorophenyl)methyl]acetamide
CID 880125
1-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfanyl]ethanone
CID 115569352
2-[(4-chlorophenyl)methylsulfanyl]-1-(2,4,5-trimethylphenyl)ethanone
CID 115569346
2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]-2-methylpropanoic acid
CID 61261362

Frequently Asked Questions

What is the IUPAC name of [(Z)-C-[(4-chlorophenyl)methylsulfanylmethyl]-N-hydroxycarbonimidoyl]urea?
The IUPAC name of [(Z)-C-[(4-chlorophenyl)methylsulfanylmethyl]-N-hydroxycarbonimidoyl]urea (CID 135684368) is [(Z)-C-[(4-chlorophenyl)methylsulfanylmethyl]-N-hydroxycarbonimidoyl]urea.
What is the SMILES notation for [(Z)-C-[(4-chlorophenyl)methylsulfanylmethyl]-N-hydroxycarbonimidoyl]urea?
The canonical SMILES for [(Z)-C-[(4-chlorophenyl)methylsulfanylmethyl]-N-hydroxycarbonimidoyl]urea is NC(=O)N/C(CSCc1ccc(Cl)cc1)=N\O.
What is the InChIKey of [(Z)-C-[(4-chlorophenyl)methylsulfanylmethyl]-N-hydroxycarbonimidoyl]urea?
The InChIKey is LXSBSTGSIJELED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2S/c11-8-3-1-7(2-4-8)5-17-6-9(14-16)13-10(12)15/h1-4,16H,5-6H2,(H3,12,13,14,15).
What are the key properties of [(Z)-C-[(4-chlorophenyl)methylsulfanylmethyl]-N-hydroxycarbonimidoyl]urea?
[(Z)-C-[(4-chlorophenyl)methylsulfanylmethyl]-N-hydroxycarbonimidoyl]urea has a molecular weight of 273.75 g/mol, XLogP of 2.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-C-[(4-chlorophenyl)methylsulfanylmethyl]-N-hydroxycarbonimidoyl]urea is sourced from PubChem (CID 135684368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).