4-(3-methoxyphenoxy)-3-methylbenzenecarbothioamide

C15H15NO2S — CID 54933965

IUPAC4-(3-methoxyphenoxy)-3-methylbenzenecarbothioamide
SMILESCOc1cccc(Oc2ccc(C(N)=S)cc2C)c1
InChIInChI=1S/C15H15NO2S/c1-10-8-11(15(16)19)6-7-14(10)18-13-5-3-4-12(9-13)17-2/h3-9H,1-2H3,(H2,16,19)
InChIKeyUJFDAHRLHMFDMV-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.43
Rot. Bonds4

About 4-(3-methoxyphenoxy)-3-methylbenzenecarbothioamide

4-(3-methoxyphenoxy)-3-methylbenzenecarbothioamide (PubChem CID 54933965) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 4-(3-methoxyphenoxy)-3-methylbenzenecarbothioamide.

Molecular Properties

Compound Name4-(3-methoxyphenoxy)-3-methylbenzenecarbothioamide
PubChem CID54933965
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name4-(3-methoxyphenoxy)-3-methylbenzenecarbothioamide
SMILESCOc1cccc(Oc2ccc(C(N)=S)cc2C)c1
InChIInChI=1S/C15H15NO2S/c1-10-8-11(15(16)19)6-7-14(10)18-13-5-3-4-12(9-13)17-2/h3-9H,1-2H3,(H2,16,19)
InChIKeyUJFDAHRLHMFDMV-UHFFFAOYSA-N
XLogP3.43
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.43
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

4-(3-bromophenoxy)-3-methylbenzenecarbothioamide
CID 54934108
4-[(3-methoxyphenoxy)methyl]-3-methylbenzenecarbothioamide
CID 114482204
4-methoxy-3-[2-(3-methoxyphenoxy)ethoxy]benzenecarbothioamide
CID 20984249
6-(3-methoxyphenoxy)pyridine-3-carbothioamide
CID 24697882
4-(2-methylphenoxy)benzenecarbothioamide
CID 20985850
N'-hydroxy-3-methyl-4-(3-methylphenoxy)benzenecarboximidamide
CID 54934539
1,4-dimethoxy-2-(3-methoxyphenoxy)benzene
CID 95561214
1-methoxy-2-(3-methoxyphenoxy)benzene
CID 14020526
4-methoxy-3-[2-(2-methylphenoxy)ethoxy]benzenecarbothioamide
CID 20987436
1-[3-amino-4-(3-methoxyphenoxy)phenyl]ethanone
CID 82132319
3-bromo-4-(3-tert-butylphenoxy)benzenecarbothioamide
CID 82787330
2-bromo-4-(3-methoxyphenoxy)benzenecarbothioamide
CID 107278279

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenoxy)-3-methylbenzenecarbothioamide?
The IUPAC name of 4-(3-methoxyphenoxy)-3-methylbenzenecarbothioamide (CID 54933965) is 4-(3-methoxyphenoxy)-3-methylbenzenecarbothioamide.
What is the SMILES notation for 4-(3-methoxyphenoxy)-3-methylbenzenecarbothioamide?
The canonical SMILES for 4-(3-methoxyphenoxy)-3-methylbenzenecarbothioamide is COc1cccc(Oc2ccc(C(N)=S)cc2C)c1.
What is the InChIKey of 4-(3-methoxyphenoxy)-3-methylbenzenecarbothioamide?
The InChIKey is UJFDAHRLHMFDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-10-8-11(15(16)19)6-7-14(10)18-13-5-3-4-12(9-13)17-2/h3-9H,1-2H3,(H2,16,19).
What are the key properties of 4-(3-methoxyphenoxy)-3-methylbenzenecarbothioamide?
4-(3-methoxyphenoxy)-3-methylbenzenecarbothioamide has a molecular weight of 273.36 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenoxy)-3-methylbenzenecarbothioamide is sourced from PubChem (CID 54933965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).