methyl 2-methoxy-N,4,6-trimethylbenzenecarboximidothioate

C12H17NOS — CID 116828033

IUPACmethyl 2-methoxy-N,4,6-trimethylbenzenecarboximidothioate
SMILESC/N=C(\SC)c1c(C)cc(C)cc1OC
InChIInChI=1S/C12H17NOS/c1-8-6-9(2)11(10(7-8)14-4)12(13-3)15-5/h6-7H,1-5H3/b13-12-
InChIKeyQLSMVDQUFAZBEC-SEYXRHQNSA-N
MW223.34 g/mol
LogP3.05
Rot. Bonds2

About methyl 2-methoxy-N,4,6-trimethylbenzenecarboximidothioate

methyl 2-methoxy-N,4,6-trimethylbenzenecarboximidothioate (PubChem CID 116828033) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is methyl 2-methoxy-N,4,6-trimethylbenzenecarboximidothioate.

Molecular Properties

Compound Namemethyl 2-methoxy-N,4,6-trimethylbenzenecarboximidothioate
PubChem CID116828033
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Namemethyl 2-methoxy-N,4,6-trimethylbenzenecarboximidothioate
SMILESC/N=C(\SC)c1c(C)cc(C)cc1OC
InChIInChI=1S/C12H17NOS/c1-8-6-9(2)11(10(7-8)14-4)12(13-3)15-5/h6-7H,1-5H3/b13-12-
InChIKeyQLSMVDQUFAZBEC-SEYXRHQNSA-N
XLogP3.05
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 53.05
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-(2-methoxy-4,6-dimethylphenyl)-2-methylsulfanylethanone
CID 106679943
2-(C,N-dimethylcarbonimidoyl)-3-methoxy-5-methylphenol
CID 135979265
5-(2-methoxy-4,6-dimethylphenyl)-5-oxopentanoic acid
CID 98784357
4-hydroxy-1-(2-methoxy-4,6-dimethylphenyl)butan-1-one
CID 96659252
1-(2-methoxy-4,6-dimethylphenyl)-3-(methylamino)propan-1-one
CID 96672338
cyclopropyl-(2-methoxy-4,6-dimethylphenyl)methanone
CID 82491880
(2-methoxy-4,6-dimethylphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 106681983
3-amino-1-(2-methoxy-4,6-dimethylphenyl)-2,2,3-trimethylbutan-1-one
CID 106681729
3-(2,2-difluoroethoxy)-1-(2-methoxy-4,6-dimethylphenyl)propan-1-one
CID 106680115
N'-hydroxy-2,6-dimethoxy-4-methylbenzenecarboximidamide
CID 19437932
7-amino-1-(2-methoxy-4,6-dimethylphenyl)heptan-1-one
CID 106681678
1-(2-methoxy-4,6-dimethylphenyl)-3-propoxypropan-1-one
CID 106681993

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-N,4,6-trimethylbenzenecarboximidothioate?
The IUPAC name of methyl 2-methoxy-N,4,6-trimethylbenzenecarboximidothioate (CID 116828033) is methyl 2-methoxy-N,4,6-trimethylbenzenecarboximidothioate.
What is the SMILES notation for methyl 2-methoxy-N,4,6-trimethylbenzenecarboximidothioate?
The canonical SMILES for methyl 2-methoxy-N,4,6-trimethylbenzenecarboximidothioate is C/N=C(\SC)c1c(C)cc(C)cc1OC.
What is the InChIKey of methyl 2-methoxy-N,4,6-trimethylbenzenecarboximidothioate?
The InChIKey is QLSMVDQUFAZBEC-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H17NOS/c1-8-6-9(2)11(10(7-8)14-4)12(13-3)15-5/h6-7H,1-5H3/b13-12-.
What are the key properties of methyl 2-methoxy-N,4,6-trimethylbenzenecarboximidothioate?
methyl 2-methoxy-N,4,6-trimethylbenzenecarboximidothioate has a molecular weight of 223.34 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-N,4,6-trimethylbenzenecarboximidothioate is sourced from PubChem (CID 116828033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).