methyl N-(benzenecarboximidoyl)benzenecarboximidothioate

C15H14N2S — CID 10491182

IUPACmethyl N-(benzenecarboximidoyl)benzenecarboximidothioate
SMILES[H]/N=C(/N=C(\SC)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H14N2S/c1-18-15(13-10-6-3-7-11-13)17-14(16)12-8-4-2-5-9-12/h2-11,16H,1H3/b16-14+,17-15-
InChIKeyVXWXAZGUXADMCX-GGTPAPDOSA-N
MW254.36 g/mol
LogP3.82
Rot. Bonds2

About methyl N-(benzenecarboximidoyl)benzenecarboximidothioate

methyl N-(benzenecarboximidoyl)benzenecarboximidothioate (PubChem CID 10491182) has the molecular formula C15H14N2S and a molecular weight of 254.36 g/mol. Its IUPAC name is methyl N-(benzenecarboximidoyl)benzenecarboximidothioate.

Molecular Properties

Compound Namemethyl N-(benzenecarboximidoyl)benzenecarboximidothioate
PubChem CID10491182
Molecular FormulaC15H14N2S
Molecular Weight254.36 g/mol
Exact Mass254.09
IUPAC Namemethyl N-(benzenecarboximidoyl)benzenecarboximidothioate
SMILES[H]/N=C(/N=C(\SC)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H14N2S/c1-18-15(13-10-6-3-7-11-13)17-14(16)12-8-4-2-5-9-12/h2-11,16H,1H3/b16-14+,17-15-
InChIKeyVXWXAZGUXADMCX-GGTPAPDOSA-N
XLogP3.82
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 53.82
H-Bond Donors ≤ 51
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-benzoylbenzenecarboximidothioate
CID 134892296
N-[[chloro(methyl)amino]-phenylmethylidene]benzenecarboximidamide
CID 154939185
N-[[butan-2-yl(methyl)amino]-phenylmethylidene]benzenecarboximidamide
CID 146664852
methyl N-(2,2-dicyano-1-phenylethenyl)benzenecarboximidothioate
CID 10063565
ethane;methyl N-phenylbenzenecarboximidothioate
CID 90772274
N-[(E)-3-bromo-1-(4-phenylphenyl)prop-2-enylidene]benzenecarboximidamide
CID 130393856
N-[[[(3R,4S)-4,5-dimethylhexan-3-yl]-methylamino]-phenylmethylidene]benzenecarboximidamide
CID 146786896
[N-(benzenecarboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide
CID 163838886
N'-(benzenecarboximidoyl)benzenecarboximidamide;1-bromo-3-methylbenzene
CID 142324241
N-[cyclohexa-1,5-dien-1-yl-[1-iodoethyl(methyl)amino]methylidene]benzenecarboximidamide
CID 126699904
methyl N-benzoylcarbamimidothioate
CID 138962835
CID 168921879
CID 168921879

Frequently Asked Questions

What is the IUPAC name of methyl N-(benzenecarboximidoyl)benzenecarboximidothioate?
The IUPAC name of methyl N-(benzenecarboximidoyl)benzenecarboximidothioate (CID 10491182) is methyl N-(benzenecarboximidoyl)benzenecarboximidothioate.
What is the SMILES notation for methyl N-(benzenecarboximidoyl)benzenecarboximidothioate?
The canonical SMILES for methyl N-(benzenecarboximidoyl)benzenecarboximidothioate is [H]/N=C(/N=C(\SC)c1ccccc1)c1ccccc1.
What is the InChIKey of methyl N-(benzenecarboximidoyl)benzenecarboximidothioate?
The InChIKey is VXWXAZGUXADMCX-GGTPAPDOSA-N. The full InChI is InChI=1S/C15H14N2S/c1-18-15(13-10-6-3-7-11-13)17-14(16)12-8-4-2-5-9-12/h2-11,16H,1H3/b16-14+,17-15-.
What are the key properties of methyl N-(benzenecarboximidoyl)benzenecarboximidothioate?
methyl N-(benzenecarboximidoyl)benzenecarboximidothioate has a molecular weight of 254.36 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(benzenecarboximidoyl)benzenecarboximidothioate is sourced from PubChem (CID 10491182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).