phenyl N-phenylbenzenecarboximidothioate

C19H15NS — CID 601889

IUPACphenyl N-phenylbenzenecarboximidothioate
SMILESc1ccc(/N=C(/Sc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H15NS/c1-4-10-16(11-5-1)19(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18/h1-15H/b20-19+
InChIKeyRFSLPCLMQWSURF-FMQUCBEESA-N
MW289.40 g/mol
LogP5.56
Rot. Bonds3

About phenyl N-phenylbenzenecarboximidothioate

phenyl N-phenylbenzenecarboximidothioate (PubChem CID 601889) has the molecular formula C19H15NS and a molecular weight of 289.40 g/mol. Its IUPAC name is phenyl N-phenylbenzenecarboximidothioate.

Molecular Properties

Compound Namephenyl N-phenylbenzenecarboximidothioate
PubChem CID601889
Molecular FormulaC19H15NS
Molecular Weight289.40 g/mol
Exact Mass289.09
IUPAC Namephenyl N-phenylbenzenecarboximidothioate
SMILESc1ccc(/N=C(/Sc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H15NS/c1-4-10-16(11-5-1)19(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18/h1-15H/b20-19+
InChIKeyRFSLPCLMQWSURF-FMQUCBEESA-N
XLogP5.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.40
LogP ≤ 55.56
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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Frequently Asked Questions

What is the IUPAC name of phenyl N-phenylbenzenecarboximidothioate?
The IUPAC name of phenyl N-phenylbenzenecarboximidothioate (CID 601889) is phenyl N-phenylbenzenecarboximidothioate.
What is the SMILES notation for phenyl N-phenylbenzenecarboximidothioate?
The canonical SMILES for phenyl N-phenylbenzenecarboximidothioate is c1ccc(/N=C(/Sc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of phenyl N-phenylbenzenecarboximidothioate?
The InChIKey is RFSLPCLMQWSURF-FMQUCBEESA-N. The full InChI is InChI=1S/C19H15NS/c1-4-10-16(11-5-1)19(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18/h1-15H/b20-19+.
What are the key properties of phenyl N-phenylbenzenecarboximidothioate?
phenyl N-phenylbenzenecarboximidothioate has a molecular weight of 289.40 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-phenylbenzenecarboximidothioate is sourced from PubChem (CID 601889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).