2,4-dimethoxy-N,3-dimethylbenzenecarbothioamide

C11H15NO2S — CID 116827700

IUPAC2,4-dimethoxy-N,3-dimethylbenzenecarbothioamide
SMILESCNC(=S)c1ccc(OC)c(C)c1OC
InChIInChI=1S/C11H15NO2S/c1-7-9(13-3)6-5-8(10(7)14-4)11(15)12-2/h5-6H,1-4H3,(H,12,15)
InChIKeyHUYOLRJXHYJWDN-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.91
Rot. Bonds3

About 2,4-dimethoxy-N,3-dimethylbenzenecarbothioamide

2,4-dimethoxy-N,3-dimethylbenzenecarbothioamide (PubChem CID 116827700) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 2,4-dimethoxy-N,3-dimethylbenzenecarbothioamide.

Molecular Properties

Compound Name2,4-dimethoxy-N,3-dimethylbenzenecarbothioamide
PubChem CID116827700
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name2,4-dimethoxy-N,3-dimethylbenzenecarbothioamide
SMILESCNC(=S)c1ccc(OC)c(C)c1OC
InChIInChI=1S/C11H15NO2S/c1-7-9(13-3)6-5-8(10(7)14-4)11(15)12-2/h5-6H,1-4H3,(H,12,15)
InChIKeyHUYOLRJXHYJWDN-UHFFFAOYSA-N
XLogP1.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetamidophenyl)-2,4-dimethoxy-3-methylbenzamide
CID 110763407
cyclopentyl-(2,4-dimethoxy-3-methylphenyl)methanone
CID 82296372
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
methyl 2,4-dimethoxy-N,3-dimethylbenzenecarboximidothioate
CID 116828013
2,4-dimethoxy-3-methyl-N-(2-methylpropyl)benzamide
CID 110763321
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
(4-methoxy-2,3-dimethylphenyl)thiourea
CID 169357786
N-[4-(dimethylamino)phenyl]-2,4-dimethoxy-3-methylbenzamide
CID 110763410
2,4-dimethoxy-3-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 110763344

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N,3-dimethylbenzenecarbothioamide?
The IUPAC name of 2,4-dimethoxy-N,3-dimethylbenzenecarbothioamide (CID 116827700) is 2,4-dimethoxy-N,3-dimethylbenzenecarbothioamide.
What is the SMILES notation for 2,4-dimethoxy-N,3-dimethylbenzenecarbothioamide?
The canonical SMILES for 2,4-dimethoxy-N,3-dimethylbenzenecarbothioamide is CNC(=S)c1ccc(OC)c(C)c1OC.
What is the InChIKey of 2,4-dimethoxy-N,3-dimethylbenzenecarbothioamide?
The InChIKey is HUYOLRJXHYJWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-7-9(13-3)6-5-8(10(7)14-4)11(15)12-2/h5-6H,1-4H3,(H,12,15).
What are the key properties of 2,4-dimethoxy-N,3-dimethylbenzenecarbothioamide?
2,4-dimethoxy-N,3-dimethylbenzenecarbothioamide has a molecular weight of 225.31 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N,3-dimethylbenzenecarbothioamide is sourced from PubChem (CID 116827700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).