1-phenyl-N-(2-phenylsulfanylethyl)methanimine

C15H15NS — CID 10633865

IUPAC1-phenyl-N-(2-phenylsulfanylethyl)methanimine
SMILESC(=N/CCSc1ccccc1)\c1ccccc1
InChIInChI=1S/C15H15NS/c1-3-7-14(8-4-1)13-16-11-12-17-15-9-5-2-6-10-15/h1-10,13H,11-12H2/b16-13+
InChIKeyYPAQEERPCJGUEM-DTQAZKPQSA-N
MW241.36 g/mol
LogP3.90
Rot. Bonds5

About 1-phenyl-N-(2-phenylsulfanylethyl)methanimine

1-phenyl-N-(2-phenylsulfanylethyl)methanimine (PubChem CID 10633865) has the molecular formula C15H15NS and a molecular weight of 241.36 g/mol. Its IUPAC name is 1-phenyl-N-(2-phenylsulfanylethyl)methanimine.

Molecular Properties

Compound Name1-phenyl-N-(2-phenylsulfanylethyl)methanimine
PubChem CID10633865
Molecular FormulaC15H15NS
Molecular Weight241.36 g/mol
Exact Mass241.09
IUPAC Name1-phenyl-N-(2-phenylsulfanylethyl)methanimine
SMILESC(=N/CCSc1ccccc1)\c1ccccc1
InChIInChI=1S/C15H15NS/c1-3-7-14(8-4-1)13-16-11-12-17-15-9-5-2-6-10-15/h1-10,13H,11-12H2/b16-13+
InChIKeyYPAQEERPCJGUEM-DTQAZKPQSA-N
XLogP3.90
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Thiazole, 4,5-dihydro-2-phenyl-
CID 200788
5-Methyl-2-phenyl-4,5-dihydro-1,3-thiazole
CID 211414
Phenyl benzenecarboximidothioate
CID 3347483
2-Phenyl-5,6-dihydro-4h-1,3-thiazine
CID 241006
benzyl (E)-N-(trifluoromethyl)benzenecarboximidothioate
CID 176438469
Benzaldehyde S-phenylthioxime
CID 9601251
1,3-Benzothiazine
CID 18989167
1,4-Benzothiazepine
CID 22227744
N,N'-bis((2-methylthio)phenylmethylene)-1,2-ethanediamine
CID 67984997
2,3-Dihydro-1,4-benzothiazepine
CID 68638158
2-Methylthiophenylmethylenimine
CID 88561931
2-[[4-(Trifluoromethylsulfanyl)phenyl]methylideneamino]ethanethial
CID 91055066

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(2-phenylsulfanylethyl)methanimine?
The IUPAC name of 1-phenyl-N-(2-phenylsulfanylethyl)methanimine (CID 10633865) is 1-phenyl-N-(2-phenylsulfanylethyl)methanimine.
What is the SMILES notation for 1-phenyl-N-(2-phenylsulfanylethyl)methanimine?
The canonical SMILES for 1-phenyl-N-(2-phenylsulfanylethyl)methanimine is C(=N/CCSc1ccccc1)\c1ccccc1.
What is the InChIKey of 1-phenyl-N-(2-phenylsulfanylethyl)methanimine?
The InChIKey is YPAQEERPCJGUEM-DTQAZKPQSA-N. The full InChI is InChI=1S/C15H15NS/c1-3-7-14(8-4-1)13-16-11-12-17-15-9-5-2-6-10-15/h1-10,13H,11-12H2/b16-13+.
What are the key properties of 1-phenyl-N-(2-phenylsulfanylethyl)methanimine?
1-phenyl-N-(2-phenylsulfanylethyl)methanimine has a molecular weight of 241.36 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(2-phenylsulfanylethyl)methanimine is sourced from PubChem (CID 10633865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).