3-(2,3-dimethylphenoxy)propanethioamide

C11H15NOS — CID 7745565

IUPAC3-(2,3-dimethylphenoxy)propanethioamide
SMILESCc1cccc(OCCC(N)=S)c1C
InChIInChI=1S/C11H15NOS/c1-8-4-3-5-10(9(8)2)13-7-6-11(12)14/h3-5H,6-7H2,1-2H3,(H2,12,14)
InChIKeyIMMWTXSYFRYWFI-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.36
Rot. Bonds4

About 3-(2,3-dimethylphenoxy)propanethioamide

3-(2,3-dimethylphenoxy)propanethioamide (PubChem CID 7745565) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 3-(2,3-dimethylphenoxy)propanethioamide.

Molecular Properties

Compound Name3-(2,3-dimethylphenoxy)propanethioamide
PubChem CID7745565
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name3-(2,3-dimethylphenoxy)propanethioamide
SMILESCc1cccc(OCCC(N)=S)c1C
InChIInChI=1S/C11H15NOS/c1-8-4-3-5-10(9(8)2)13-7-6-11(12)14/h3-5H,6-7H2,1-2H3,(H2,12,14)
InChIKeyIMMWTXSYFRYWFI-UHFFFAOYSA-N
XLogP2.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(2,3-dimethylphenoxy)-2,2-dimethylpentanethioamide
CID 65259761
1-[2-(2,3-dimethylphenoxy)ethyl]-1-methylhydrazine
CID 82281839
3-(5-fluoro-2-methylphenoxy)propanethioamide
CID 102981847
3-(2,4,5-trimethylphenoxy)propanethioamide
CID 82154229
4-(2,3-dimethylphenoxy)butanehydrazide
CID 63574436
1-(2-chloroethoxy)-2,3-dimethylbenzene
CID 15086422
4-(2,3-dimethylphenoxy)butyl acetate
CID 69169507
3-(2,3-dimethylphenoxy)-N-(2-methoxyethoxy)propanamide
CID 79675927
1-(3-bromopropoxy)-2,3-dimethylbenzene
CID 6483771
2-[3-(2,3-dimethylphenoxy)propylamino]ethanol
CID 2249838
methyl 4-(2,3-dimethylphenoxy)butanoate
CID 43378041
3-(3-methylphenoxy)propanethioamide
CID 7745599

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylphenoxy)propanethioamide?
The IUPAC name of 3-(2,3-dimethylphenoxy)propanethioamide (CID 7745565) is 3-(2,3-dimethylphenoxy)propanethioamide.
What is the SMILES notation for 3-(2,3-dimethylphenoxy)propanethioamide?
The canonical SMILES for 3-(2,3-dimethylphenoxy)propanethioamide is Cc1cccc(OCCC(N)=S)c1C.
What is the InChIKey of 3-(2,3-dimethylphenoxy)propanethioamide?
The InChIKey is IMMWTXSYFRYWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-8-4-3-5-10(9(8)2)13-7-6-11(12)14/h3-5H,6-7H2,1-2H3,(H2,12,14).
What are the key properties of 3-(2,3-dimethylphenoxy)propanethioamide?
3-(2,3-dimethylphenoxy)propanethioamide has a molecular weight of 209.31 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylphenoxy)propanethioamide is sourced from PubChem (CID 7745565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).