(2-methylphenyl) N-phenylpropanimidothioate

C16H17NS — CID 143805896

IUPAC(2-methylphenyl) N-phenylpropanimidothioate
SMILESCC/C(=N\c1ccccc1)Sc1ccccc1C
InChIInChI=1S/C16H17NS/c1-3-16(17-14-10-5-4-6-11-14)18-15-12-8-7-9-13(15)2/h4-12H,3H2,1-2H3/b17-16+
InChIKeyYUPJWRWAFOYOBG-WUKNDPDISA-N
MW255.39 g/mol
LogP5.23
Rot. Bonds3

About (2-methylphenyl) N-phenylpropanimidothioate

(2-methylphenyl) N-phenylpropanimidothioate (PubChem CID 143805896) has the molecular formula C16H17NS and a molecular weight of 255.39 g/mol. Its IUPAC name is (2-methylphenyl) N-phenylpropanimidothioate.

Molecular Properties

Compound Name(2-methylphenyl) N-phenylpropanimidothioate
PubChem CID143805896
Molecular FormulaC16H17NS
Molecular Weight255.39 g/mol
Exact Mass255.11
IUPAC Name(2-methylphenyl) N-phenylpropanimidothioate
SMILESCC/C(=N\c1ccccc1)Sc1ccccc1C
InChIInChI=1S/C16H17NS/c1-3-16(17-14-10-5-4-6-11-14)18-15-12-8-7-9-13(15)2/h4-12H,3H2,1-2H3/b17-16+
InChIKeyYUPJWRWAFOYOBG-WUKNDPDISA-N
XLogP5.23
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.39
LogP ≤ 55.23
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'}

Analyze (2-methylphenyl) N-phenylpropanimidothioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenylethyl N-phenylpropanimidothioate
CID 69128548
ethyl 2-methyl-N-phenylbenzenecarboximidothioate
CID 134550826
(2-methylphenyl) ethanedithioate
CID 139915930
hydroxy N-phenylpentanimidothioate
CID 102351744
ethane;1-methyl-2-[(E)-pent-2-en-2-yl]sulfanylbenzene
CID 177195122
1-[(E)-2-chloro-1-phenylethenyl]sulfanyl-2-methylbenzene
CID 139262829
2-Methyl-seleno-benzanilide
CID 21155417
2,4-dimethyl-N-phenylpentan-3-imine
CID 14316363
(2-methylphenyl) N,N-dimethylcarbamodithioate
CID 15103810
N,1-diphenylbutan-2-imine
CID 13015455
ethanol;2-phenylguanidine
CID 172840613
1-ethyl-1-(2-methylphenyl)-2-phenylguanidine
CID 62362486

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl) N-phenylpropanimidothioate?
The IUPAC name of (2-methylphenyl) N-phenylpropanimidothioate (CID 143805896) is (2-methylphenyl) N-phenylpropanimidothioate.
What is the SMILES notation for (2-methylphenyl) N-phenylpropanimidothioate?
The canonical SMILES for (2-methylphenyl) N-phenylpropanimidothioate is CC/C(=N\c1ccccc1)Sc1ccccc1C.
What is the InChIKey of (2-methylphenyl) N-phenylpropanimidothioate?
The InChIKey is YUPJWRWAFOYOBG-WUKNDPDISA-N. The full InChI is InChI=1S/C16H17NS/c1-3-16(17-14-10-5-4-6-11-14)18-15-12-8-7-9-13(15)2/h4-12H,3H2,1-2H3/b17-16+.
What are the key properties of (2-methylphenyl) N-phenylpropanimidothioate?
(2-methylphenyl) N-phenylpropanimidothioate has a molecular weight of 255.39 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl) N-phenylpropanimidothioate is sourced from PubChem (CID 143805896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).