4-methyl-2-(3-methylphenoxy)benzenecarbothioamide

C15H15NOS — CID 62301443

IUPAC4-methyl-2-(3-methylphenoxy)benzenecarbothioamide
SMILESCc1cccc(Oc2cc(C)ccc2C(N)=S)c1
InChIInChI=1S/C15H15NOS/c1-10-4-3-5-12(8-10)17-14-9-11(2)6-7-13(14)15(16)18/h3-9H,1-2H3,(H2,16,18)
InChIKeyQWCVVVJKQUMMCU-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.73
Rot. Bonds3

About 4-methyl-2-(3-methylphenoxy)benzenecarbothioamide

4-methyl-2-(3-methylphenoxy)benzenecarbothioamide (PubChem CID 62301443) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is 4-methyl-2-(3-methylphenoxy)benzenecarbothioamide.

Molecular Properties

Compound Name4-methyl-2-(3-methylphenoxy)benzenecarbothioamide
PubChem CID62301443
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC Name4-methyl-2-(3-methylphenoxy)benzenecarbothioamide
SMILESCc1cccc(Oc2cc(C)ccc2C(N)=S)c1
InChIInChI=1S/C15H15NOS/c1-10-4-3-5-12(8-10)17-14-9-11(2)6-7-13(14)15(16)18/h3-9H,1-2H3,(H2,16,18)
InChIKeyQWCVVVJKQUMMCU-UHFFFAOYSA-N
XLogP3.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methyl-2-(3-methylphenoxy)benzenecarbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,5-dimethylphenoxy)-4-methylbenzenecarbothioamide
CID 55224434
4-methyl-2-naphthalen-2-yloxybenzenecarbothioamide
CID 63519289
2-(3,4-dimethylphenoxy)-4-methylbenzenecarbothioamide
CID 62301441
2-(2-methoxyphenoxy)-4-methylbenzenecarbothioamide
CID 55057221
2-(3-methylphenoxy)benzamide
CID 70968841
4-methyl-2-(3-methylphenoxy)aniline
CID 26189584
2-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzenecarbothioamide
CID 64600403
4-chloro-2-(4-methylphenoxy)benzenecarbothioamide
CID 63092156
4-(2-fluoro-5-methylphenoxy)-2-methylbenzenecarbothioamide
CID 81277338
2-(4-bromo-2,5-dichlorophenoxy)-4-methylbenzenecarbothioamide
CID 107658141
5-methyl-2-(3-methylphenoxy)benzenecarboximidamide
CID 114017320
4-chloro-2-(2-fluoro-5-methylphenoxy)benzenecarbothioamide
CID 64856176

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-methylphenoxy)benzenecarbothioamide?
The IUPAC name of 4-methyl-2-(3-methylphenoxy)benzenecarbothioamide (CID 62301443) is 4-methyl-2-(3-methylphenoxy)benzenecarbothioamide.
What is the SMILES notation for 4-methyl-2-(3-methylphenoxy)benzenecarbothioamide?
The canonical SMILES for 4-methyl-2-(3-methylphenoxy)benzenecarbothioamide is Cc1cccc(Oc2cc(C)ccc2C(N)=S)c1.
What is the InChIKey of 4-methyl-2-(3-methylphenoxy)benzenecarbothioamide?
The InChIKey is QWCVVVJKQUMMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c1-10-4-3-5-12(8-10)17-14-9-11(2)6-7-13(14)15(16)18/h3-9H,1-2H3,(H2,16,18).
What are the key properties of 4-methyl-2-(3-methylphenoxy)benzenecarbothioamide?
4-methyl-2-(3-methylphenoxy)benzenecarbothioamide has a molecular weight of 257.36 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-methylphenoxy)benzenecarbothioamide is sourced from PubChem (CID 62301443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).