N'-cyano-N-(ethyl-imino-methyl-lambda6-sulfanylidene)benzenecarboximidamide

C11H14N4S — CID 14145693

IUPACN'-cyano-N-(ethyl-imino-methyl-lambda6-sulfanylidene)benzenecarboximidamide
SMILES[H]N=S(C)(CC)=N/C(=N/C#N)c1ccccc1
InChIInChI=1S/C11H14N4S/c1-3-16(2,13)15-11(14-9-12)10-7-5-4-6-8-10/h4-8,13H,3H2,1-2H3/b14-11+
InChIKeyWSJAYFFRDXCBIC-SDNWHVSQSA-N
MW234.33 g/mol
LogP2.66
Rot. Bonds2

About N'-cyano-N-(ethyl-imino-methyl-lambda6-sulfanylidene)benzenecarboximidamide

N'-cyano-N-(ethyl-imino-methyl-lambda6-sulfanylidene)benzenecarboximidamide (PubChem CID 14145693) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is N'-cyano-N-(ethyl-imino-methyl-lambda6-sulfanylidene)benzenecarboximidamide.

Molecular Properties

Compound NameN'-cyano-N-(ethyl-imino-methyl-lambda6-sulfanylidene)benzenecarboximidamide
PubChem CID14145693
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC NameN'-cyano-N-(ethyl-imino-methyl-lambda6-sulfanylidene)benzenecarboximidamide
SMILES[H]N=S(C)(CC)=N/C(=N/C#N)c1ccccc1
InChIInChI=1S/C11H14N4S/c1-3-16(2,13)15-11(14-9-12)10-7-5-4-6-8-10/h4-8,13H,3H2,1-2H3/b14-11+
InChIKeyWSJAYFFRDXCBIC-SDNWHVSQSA-N
XLogP2.66
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-Phenyl-1,2,4-thiadiazole-5-thiol
CID 2795839
N'-Cyanobenzenecarboximidamide
CID 270782
N-methylbenzenecarboximidamide hydrochloride
CID 12375797
N-Methylbenzamidine
CID 169564
3-(4-Methylphenyl)-1,2,4-thiadiazole-5(2H)-thione
CID 13762947
N'-[(Z)-1-butylsulfanyl-2-cyano-3,3,3-trifluoroprop-1-enyl]benzenecarboximidamide
CID 134921041
N'-Propylbenzenecarboximidamide
CID 12475665
N-Carbamimidoylbenzimidamide
CID 14045771
benzyl (NZ)-N-[amino(phenyl)methylidene]carbamodithioate
CID 134831226
[4-(N'-methylcarbamimidoyl)phenyl]methyl thiohypofluorite
CID 144319244
N-[amino-(4-fluorophenyl)methylidene]ethanethioamide
CID 144541747
N-[bis(methylsulfanyl)methylidene]benzenecarboximidamide
CID 10585263

Frequently Asked Questions

What is the IUPAC name of N'-cyano-N-(ethyl-imino-methyl-lambda6-sulfanylidene)benzenecarboximidamide?
The IUPAC name of N'-cyano-N-(ethyl-imino-methyl-lambda6-sulfanylidene)benzenecarboximidamide (CID 14145693) is N'-cyano-N-(ethyl-imino-methyl-lambda6-sulfanylidene)benzenecarboximidamide.
What is the SMILES notation for N'-cyano-N-(ethyl-imino-methyl-lambda6-sulfanylidene)benzenecarboximidamide?
The canonical SMILES for N'-cyano-N-(ethyl-imino-methyl-lambda6-sulfanylidene)benzenecarboximidamide is [H]N=S(C)(CC)=N/C(=N/C#N)c1ccccc1.
What is the InChIKey of N'-cyano-N-(ethyl-imino-methyl-lambda6-sulfanylidene)benzenecarboximidamide?
The InChIKey is WSJAYFFRDXCBIC-SDNWHVSQSA-N. The full InChI is InChI=1S/C11H14N4S/c1-3-16(2,13)15-11(14-9-12)10-7-5-4-6-8-10/h4-8,13H,3H2,1-2H3/b14-11+.
What are the key properties of N'-cyano-N-(ethyl-imino-methyl-lambda6-sulfanylidene)benzenecarboximidamide?
N'-cyano-N-(ethyl-imino-methyl-lambda6-sulfanylidene)benzenecarboximidamide has a molecular weight of 234.33 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyano-N-(ethyl-imino-methyl-lambda6-sulfanylidene)benzenecarboximidamide is sourced from PubChem (CID 14145693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).