methyl 2,4-dimethoxy-N,3-dimethylbenzenecarboximidothioate

C12H17NO2S — CID 116828013

IUPACmethyl 2,4-dimethoxy-N,3-dimethylbenzenecarboximidothioate
SMILESC/N=C(\SC)c1ccc(OC)c(C)c1OC
InChIInChI=1S/C12H17NO2S/c1-8-10(14-3)7-6-9(11(8)15-4)12(13-2)16-5/h6-7H,1-5H3/b13-12-
InChIKeyPSDLHQBRZJCYSU-SEYXRHQNSA-N
MW239.34 g/mol
LogP2.75
Rot. Bonds3

About methyl 2,4-dimethoxy-N,3-dimethylbenzenecarboximidothioate

methyl 2,4-dimethoxy-N,3-dimethylbenzenecarboximidothioate (PubChem CID 116828013) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is methyl 2,4-dimethoxy-N,3-dimethylbenzenecarboximidothioate.

Molecular Properties

Compound Namemethyl 2,4-dimethoxy-N,3-dimethylbenzenecarboximidothioate
PubChem CID116828013
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Namemethyl 2,4-dimethoxy-N,3-dimethylbenzenecarboximidothioate
SMILESC/N=C(\SC)c1ccc(OC)c(C)c1OC
InChIInChI=1S/C12H17NO2S/c1-8-10(14-3)7-6-9(11(8)15-4)12(13-2)16-5/h6-7H,1-5H3/b13-12-
InChIKeyPSDLHQBRZJCYSU-SEYXRHQNSA-N
XLogP2.75
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2,4-dimethoxy-N,3-dimethylbenzenecarbothioamide
CID 116827700
N-(4-acetamidophenyl)-2,4-dimethoxy-3-methylbenzamide
CID 110763407
2-bromo-1-(2,4-dimethoxy-3-methylphenyl)propan-1-one
CID 14199715
2-amino-1-(2,4-dimethoxy-3-methylphenyl)-2-methylpropan-1-one
CID 116915377
1-(2,4-dimethoxy-3-methylphenyl)-3,3-dimethylbutan-1-one
CID 95461337
N-(3-hydroxypropyl)-2,4-dimethoxy-3-methylbenzamide
CID 98016459
2,4-dimethoxy-3-methyl-N-prop-2-enylbenzamide
CID 110763319
cyclopentyl-(2,4-dimethoxy-3-methylphenyl)methanone
CID 82296372
methyl 2-methoxy-N,4,6-trimethylbenzenecarboximidothioate
CID 116828033
N-[4-(dimethylamino)phenyl]-2,4-dimethoxy-3-methylbenzamide
CID 110763410
(2,4-dimethoxy-3-methylphenyl) acetate
CID 10899866
N-(4-methoxy-2,3-dimethylphenyl)propan-2-imine
CID 89091882

Frequently Asked Questions

What is the IUPAC name of methyl 2,4-dimethoxy-N,3-dimethylbenzenecarboximidothioate?
The IUPAC name of methyl 2,4-dimethoxy-N,3-dimethylbenzenecarboximidothioate (CID 116828013) is methyl 2,4-dimethoxy-N,3-dimethylbenzenecarboximidothioate.
What is the SMILES notation for methyl 2,4-dimethoxy-N,3-dimethylbenzenecarboximidothioate?
The canonical SMILES for methyl 2,4-dimethoxy-N,3-dimethylbenzenecarboximidothioate is C/N=C(\SC)c1ccc(OC)c(C)c1OC.
What is the InChIKey of methyl 2,4-dimethoxy-N,3-dimethylbenzenecarboximidothioate?
The InChIKey is PSDLHQBRZJCYSU-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-8-10(14-3)7-6-9(11(8)15-4)12(13-2)16-5/h6-7H,1-5H3/b13-12-.
What are the key properties of methyl 2,4-dimethoxy-N,3-dimethylbenzenecarboximidothioate?
methyl 2,4-dimethoxy-N,3-dimethylbenzenecarboximidothioate has a molecular weight of 239.34 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-dimethoxy-N,3-dimethylbenzenecarboximidothioate is sourced from PubChem (CID 116828013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).