phenyl N-methylbenzenecarboximidothioate

C14H13NS — CID 12557551

IUPACphenyl N-methylbenzenecarboximidothioate
SMILESC/N=C(/Sc1ccccc1)c1ccccc1
InChIInChI=1S/C14H13NS/c1-15-14(12-8-4-2-5-9-12)16-13-10-6-3-7-11-13/h2-11H,1H3/b15-14+
InChIKeyHRWZUUCMTHHSFD-CCEZHUSRSA-N
MW227.33 g/mol
LogP3.86
Rot. Bonds2

About phenyl N-methylbenzenecarboximidothioate

phenyl N-methylbenzenecarboximidothioate (PubChem CID 12557551) has the molecular formula C14H13NS and a molecular weight of 227.33 g/mol. Its IUPAC name is phenyl N-methylbenzenecarboximidothioate.

Molecular Properties

Compound Namephenyl N-methylbenzenecarboximidothioate
PubChem CID12557551
Molecular FormulaC14H13NS
Molecular Weight227.33 g/mol
Exact Mass227.08
IUPAC Namephenyl N-methylbenzenecarboximidothioate
SMILESC/N=C(/Sc1ccccc1)c1ccccc1
InChIInChI=1S/C14H13NS/c1-15-14(12-8-4-2-5-9-12)16-13-10-6-3-7-11-13/h2-11H,1H3/b15-14+
InChIKeyHRWZUUCMTHHSFD-CCEZHUSRSA-N
XLogP3.86
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 53.86
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

Thiazole, 4,5-dihydro-2-phenyl-
CID 200788
5-Methyl-2-phenyl-4,5-dihydro-1,3-thiazole
CID 211414
4H-1,3-Thiazine, 5,6-dihydro-4,4-dimethyl-2-phenyl-
CID 120429
Phenyl benzenecarboximidothioate
CID 3347483
Benzenecarboximidothioic acid, N-methyl-, methyl ester
CID 521011
2-Phenyl-5,6-dihydro-4h-1,3-thiazine
CID 241006
Methyl((methylsulfanyl)(phenyl)methylidene)amine hydroiodide
CID 12382360
N-methyl-1-methylsulfanyl-1-phenylmethanimine oxide
CID 5466975
benzyl (E)-N-(trifluoromethyl)benzenecarboximidothioate
CID 176438469
5-methylidene-2-phenyl-4H-1,3-thiazole
CID 10261600
2-phenyl-4H-1,3-benzothiazine
CID 14510107
N,N'-bis((2-methylthio)phenylmethylene)-1,2-ethanediamine
CID 67984997

Frequently Asked Questions

What is the IUPAC name of phenyl N-methylbenzenecarboximidothioate?
The IUPAC name of phenyl N-methylbenzenecarboximidothioate (CID 12557551) is phenyl N-methylbenzenecarboximidothioate.
What is the SMILES notation for phenyl N-methylbenzenecarboximidothioate?
The canonical SMILES for phenyl N-methylbenzenecarboximidothioate is C/N=C(/Sc1ccccc1)c1ccccc1.
What is the InChIKey of phenyl N-methylbenzenecarboximidothioate?
The InChIKey is HRWZUUCMTHHSFD-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H13NS/c1-15-14(12-8-4-2-5-9-12)16-13-10-6-3-7-11-13/h2-11H,1H3/b15-14+.
What are the key properties of phenyl N-methylbenzenecarboximidothioate?
phenyl N-methylbenzenecarboximidothioate has a molecular weight of 227.33 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-methylbenzenecarboximidothioate is sourced from PubChem (CID 12557551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).