methyl N-benzoylbenzenecarboximidothioate

C15H13NOS — CID 134892296

IUPACmethyl N-benzoylbenzenecarboximidothioate
SMILESCS/C(=N\C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H13NOS/c1-18-15(13-10-6-3-7-11-13)16-14(17)12-8-4-2-5-9-12/h2-11H,1H3/b16-15-
InChIKeyZRHFPCVUAMEHJD-NXVVXOECSA-N
MW255.34 g/mol
LogP3.64
Rot. Bonds2

About methyl N-benzoylbenzenecarboximidothioate

methyl N-benzoylbenzenecarboximidothioate (PubChem CID 134892296) has the molecular formula C15H13NOS and a molecular weight of 255.34 g/mol. Its IUPAC name is methyl N-benzoylbenzenecarboximidothioate.

Molecular Properties

Compound Namemethyl N-benzoylbenzenecarboximidothioate
PubChem CID134892296
Molecular FormulaC15H13NOS
Molecular Weight255.34 g/mol
Exact Mass255.07
IUPAC Namemethyl N-benzoylbenzenecarboximidothioate
SMILESCS/C(=N\C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H13NOS/c1-18-15(13-10-6-3-7-11-13)16-14(17)12-8-4-2-5-9-12/h2-11H,1H3/b16-15-
InChIKeyZRHFPCVUAMEHJD-NXVVXOECSA-N
XLogP3.64
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl N-(benzenecarboximidoyl)benzenecarboximidothioate
CID 10491182
methyl N-(2,2-dicyano-1-phenylethenyl)benzenecarboximidothioate
CID 10063565
N-(1-oxo-1-phenylpropan-2-ylidene)benzamide
CID 23255289
ethane;methyl N-phenylbenzenecarboximidothioate
CID 90772274
ethane;propane;N-propan-2-ylidenebenzamide
CID 91020892
ethyl N'-benzoylcarbamimidothioate
CID 16764605
ethyl 2-[[methylsulfanyl(phenyl)methylidene]amino]acetate
CID 11806671
N-[(benzhydrylideneamino)-phenylmethylidene]benzamide
CID 14949427
N-benzhydrylidene-4-benzoylbenzamide
CID 4145646
CID 131851272
CID 131851272
N-(diphenoxymethylidene)benzamide
CID 13307152
methyl (E)-N-(4-methylphenyl)sulfonylbenzenecarboximidothioate
CID 5408818

Frequently Asked Questions

What is the IUPAC name of methyl N-benzoylbenzenecarboximidothioate?
The IUPAC name of methyl N-benzoylbenzenecarboximidothioate (CID 134892296) is methyl N-benzoylbenzenecarboximidothioate.
What is the SMILES notation for methyl N-benzoylbenzenecarboximidothioate?
The canonical SMILES for methyl N-benzoylbenzenecarboximidothioate is CS/C(=N\C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of methyl N-benzoylbenzenecarboximidothioate?
The InChIKey is ZRHFPCVUAMEHJD-NXVVXOECSA-N. The full InChI is InChI=1S/C15H13NOS/c1-18-15(13-10-6-3-7-11-13)16-14(17)12-8-4-2-5-9-12/h2-11H,1H3/b16-15-.
What are the key properties of methyl N-benzoylbenzenecarboximidothioate?
methyl N-benzoylbenzenecarboximidothioate has a molecular weight of 255.34 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-benzoylbenzenecarboximidothioate is sourced from PubChem (CID 134892296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).