methyl N-ethenyl-1-(4-methylphenyl)sulfanylmethanimidate

C11H13NOS — CID 142096261

IUPACmethyl N-ethenyl-1-(4-methylphenyl)sulfanylmethanimidate
SMILESC=C/N=C(\OC)Sc1ccc(C)cc1
InChIInChI=1S/C11H13NOS/c1-4-12-11(13-3)14-10-7-5-9(2)6-8-10/h4-8H,1H2,2-3H3/b12-11+
InChIKeyHBIJAVBRQLDWKJ-VAWYXSNFSA-N
MW207.30 g/mol
LogP3.23
Rot. Bonds2

About methyl N-ethenyl-1-(4-methylphenyl)sulfanylmethanimidate

methyl N-ethenyl-1-(4-methylphenyl)sulfanylmethanimidate (PubChem CID 142096261) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is methyl N-ethenyl-1-(4-methylphenyl)sulfanylmethanimidate.

Molecular Properties

Compound Namemethyl N-ethenyl-1-(4-methylphenyl)sulfanylmethanimidate
PubChem CID142096261
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Namemethyl N-ethenyl-1-(4-methylphenyl)sulfanylmethanimidate
SMILESC=C/N=C(\OC)Sc1ccc(C)cc1
InChIInChI=1S/C11H13NOS/c1-4-12-11(13-3)14-10-7-5-9(2)6-8-10/h4-8H,1H2,2-3H3/b12-11+
InChIKeyHBIJAVBRQLDWKJ-VAWYXSNFSA-N
XLogP3.23
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

1-(4-methylphenyl)sulfanyl-N-propan-2-ylmethanimidoyl chloride
CID 134989120
(E)-N-(1-methoxyethyl)-1-(4-methylphenyl)sulfonylmethanimine
CID 135050895
2-(4-Methylphenyl)sulfanyl-4,5-dihydro-1,3-oxazole
CID 20781139
2-(4-Methylphenyl)sulfanyl-4,5-dihydro-1,3-thiazole
CID 20781140
2-(4-methylphenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine
CID 22016872
N-[(1E)-1-(4-methylphenyl)sulfanylbuta-1,3-dienyl]methanimine
CID 141893535
(Z)-N-[(1E)-1-(4-methylphenyl)sulfanylbuta-1,3-dienyl]ethanimine
CID 141893726
5-(4-methylphenyl)sulfanyl-4H-azepine
CID 141893805
(1Z,3E)-3-(4-methylphenyl)sulfanylpenta-1,3-dien-1-amine
CID 141955741
(4-Methylphenyl)sulfanylmethyl cyanate
CID 142833378
(4-methylphenyl) N-methylethanimidothioate
CID 153357258
5-(4-methylsulfanylphenyl)-3H-azepine
CID 156509574

Frequently Asked Questions

What is the IUPAC name of methyl N-ethenyl-1-(4-methylphenyl)sulfanylmethanimidate?
The IUPAC name of methyl N-ethenyl-1-(4-methylphenyl)sulfanylmethanimidate (CID 142096261) is methyl N-ethenyl-1-(4-methylphenyl)sulfanylmethanimidate.
What is the SMILES notation for methyl N-ethenyl-1-(4-methylphenyl)sulfanylmethanimidate?
The canonical SMILES for methyl N-ethenyl-1-(4-methylphenyl)sulfanylmethanimidate is C=C/N=C(\OC)Sc1ccc(C)cc1.
What is the InChIKey of methyl N-ethenyl-1-(4-methylphenyl)sulfanylmethanimidate?
The InChIKey is HBIJAVBRQLDWKJ-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H13NOS/c1-4-12-11(13-3)14-10-7-5-9(2)6-8-10/h4-8H,1H2,2-3H3/b12-11+.
What are the key properties of methyl N-ethenyl-1-(4-methylphenyl)sulfanylmethanimidate?
methyl N-ethenyl-1-(4-methylphenyl)sulfanylmethanimidate has a molecular weight of 207.30 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-ethenyl-1-(4-methylphenyl)sulfanylmethanimidate is sourced from PubChem (CID 142096261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).