(4-methylphenyl) N-methylethanimidothioate

C10H13NS — CID 153357258

IUPAC(4-methylphenyl) N-methylethanimidothioate
SMILESC/N=C(\C)Sc1ccc(C)cc1
InChIInChI=1S/C10H13NS/c1-8-4-6-10(7-5-8)12-9(2)11-3/h4-7H,1-3H3/b11-9+
InChIKeyLPKUVGFHKMSQSL-PKNBQFBNSA-N
MW179.29 g/mol
LogP3.14
Rot. Bonds1

About (4-methylphenyl) N-methylethanimidothioate

(4-methylphenyl) N-methylethanimidothioate (PubChem CID 153357258) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is (4-methylphenyl) N-methylethanimidothioate.

Molecular Properties

Compound Name(4-methylphenyl) N-methylethanimidothioate
PubChem CID153357258
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Name(4-methylphenyl) N-methylethanimidothioate
SMILESC/N=C(\C)Sc1ccc(C)cc1
InChIInChI=1S/C10H13NS/c1-8-4-6-10(7-5-8)12-9(2)11-3/h4-7H,1-3H3/b11-9+
InChIKeyLPKUVGFHKMSQSL-PKNBQFBNSA-N
XLogP3.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 53.14
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

p-Toluenesulphenyl cyanide
CID 1277670
4-(Tert-butylsulfanyl)benzonitrile
CID 14950093
1-(tert-Butylsulfanyl)-4-methylbenzene
CID 139026
3-[(4-Methylphenyl)sulfanyl]propanenitrile
CID 220032
2-[[(E)-2-(4-methylphenyl)sulfonylethenyl]sulfonylmethyl]-4,5-dihydro-1,3-thiazole
CID 46837865
Benzenecarboximidothioic acid, N-methyl-, methyl ester
CID 521011
2-[(4-Methylphenyl)thio]acetonitrile
CID 2799771
N,N-dimethyl-3-(4-methylphenyl)sulfanylprop-2-yn-1-amine
CID 134838226
Isopropenyl p-tolyl sulfide
CID 14917572
1-[(Isocyanomethyl)sulfanyl]-4-methylbenzene
CID 20451295
1-(4-fluorophenyl)prop-1-enyl N-methylethanimidothioate
CID 90964110
[1-(3-fluoro-4-methylphenyl)-2-methylprop-1-enyl] N-methylethanimidothioate
CID 91391433

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl) N-methylethanimidothioate?
The IUPAC name of (4-methylphenyl) N-methylethanimidothioate (CID 153357258) is (4-methylphenyl) N-methylethanimidothioate.
What is the SMILES notation for (4-methylphenyl) N-methylethanimidothioate?
The canonical SMILES for (4-methylphenyl) N-methylethanimidothioate is C/N=C(\C)Sc1ccc(C)cc1.
What is the InChIKey of (4-methylphenyl) N-methylethanimidothioate?
The InChIKey is LPKUVGFHKMSQSL-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H13NS/c1-8-4-6-10(7-5-8)12-9(2)11-3/h4-7H,1-3H3/b11-9+.
What are the key properties of (4-methylphenyl) N-methylethanimidothioate?
(4-methylphenyl) N-methylethanimidothioate has a molecular weight of 179.29 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl) N-methylethanimidothioate is sourced from PubChem (CID 153357258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).