phenyl N,N-dimethyl-N'-phenylcarbamimidothioate

C15H16N2S — CID 134850569

IUPACphenyl N,N-dimethyl-N'-phenylcarbamimidothioate
SMILESCN(C)/C(=N\c1ccccc1)Sc1ccccc1
InChIInChI=1S/C15H16N2S/c1-17(2)15(16-13-9-5-3-6-10-13)18-14-11-7-4-8-12-14/h3-12H,1-2H3/b16-15+
InChIKeyAJDDOEXDUMSHFP-FOCLMDBBSA-N
MW256.37 g/mol
LogP4.03
Rot. Bonds2

About phenyl N,N-dimethyl-N'-phenylcarbamimidothioate

phenyl N,N-dimethyl-N'-phenylcarbamimidothioate (PubChem CID 134850569) has the molecular formula C15H16N2S and a molecular weight of 256.37 g/mol. Its IUPAC name is phenyl N,N-dimethyl-N'-phenylcarbamimidothioate.

Molecular Properties

Compound Namephenyl N,N-dimethyl-N'-phenylcarbamimidothioate
PubChem CID134850569
Molecular FormulaC15H16N2S
Molecular Weight256.37 g/mol
Exact Mass256.10
IUPAC Namephenyl N,N-dimethyl-N'-phenylcarbamimidothioate
SMILESCN(C)/C(=N\c1ccccc1)Sc1ccccc1
InChIInChI=1S/C15H16N2S/c1-17(2)15(16-13-9-5-3-6-10-13)18-14-11-7-4-8-12-14/h3-12H,1-2H3/b16-15+
InChIKeyAJDDOEXDUMSHFP-FOCLMDBBSA-N
XLogP4.03
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 54.03
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,N-dimethyl-N'-phenylcarbamimidothioate?
The IUPAC name of phenyl N,N-dimethyl-N'-phenylcarbamimidothioate (CID 134850569) is phenyl N,N-dimethyl-N'-phenylcarbamimidothioate.
What is the SMILES notation for phenyl N,N-dimethyl-N'-phenylcarbamimidothioate?
The canonical SMILES for phenyl N,N-dimethyl-N'-phenylcarbamimidothioate is CN(C)/C(=N\c1ccccc1)Sc1ccccc1.
What is the InChIKey of phenyl N,N-dimethyl-N'-phenylcarbamimidothioate?
The InChIKey is AJDDOEXDUMSHFP-FOCLMDBBSA-N. The full InChI is InChI=1S/C15H16N2S/c1-17(2)15(16-13-9-5-3-6-10-13)18-14-11-7-4-8-12-14/h3-12H,1-2H3/b16-15+.
What are the key properties of phenyl N,N-dimethyl-N'-phenylcarbamimidothioate?
phenyl N,N-dimethyl-N'-phenylcarbamimidothioate has a molecular weight of 256.37 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N,N-dimethyl-N'-phenylcarbamimidothioate is sourced from PubChem (CID 134850569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).