4-(2-fluoro-5-methylphenoxy)-2-methylbenzenecarbothioamide

C15H14FNOS — CID 81277338

IUPAC4-(2-fluoro-5-methylphenoxy)-2-methylbenzenecarbothioamide
SMILESCc1ccc(F)c(Oc2ccc(C(N)=S)c(C)c2)c1
InChIInChI=1S/C15H14FNOS/c1-9-3-6-13(16)14(7-9)18-11-4-5-12(15(17)19)10(2)8-11/h3-8H,1-2H3,(H2,17,19)
InChIKeyHYFDEJXVIJFLBL-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.87
Rot. Bonds3

About 4-(2-fluoro-5-methylphenoxy)-2-methylbenzenecarbothioamide

4-(2-fluoro-5-methylphenoxy)-2-methylbenzenecarbothioamide (PubChem CID 81277338) has the molecular formula C15H14FNOS and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-(2-fluoro-5-methylphenoxy)-2-methylbenzenecarbothioamide.

Molecular Properties

Compound Name4-(2-fluoro-5-methylphenoxy)-2-methylbenzenecarbothioamide
PubChem CID81277338
Molecular FormulaC15H14FNOS
Molecular Weight275.35 g/mol
Exact Mass275.08
IUPAC Name4-(2-fluoro-5-methylphenoxy)-2-methylbenzenecarbothioamide
SMILESCc1ccc(F)c(Oc2ccc(C(N)=S)c(C)c2)c1
InChIInChI=1S/C15H14FNOS/c1-9-3-6-13(16)14(7-9)18-11-4-5-12(15(17)19)10(2)8-11/h3-8H,1-2H3,(H2,17,19)
InChIKeyHYFDEJXVIJFLBL-UHFFFAOYSA-N
XLogP3.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.87
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

2-(3,4-dimethylphenoxy)-4-methylbenzenecarbothioamide
CID 62301441
4-(2,4-difluorophenoxy)-2-methylbenzenecarbothioamide
CID 81277855
4-chloro-2-(2-fluoro-5-methylphenoxy)benzenecarbothioamide
CID 64856176
4-methyl-2-(3-methylphenoxy)benzenecarbothioamide
CID 62301443
4-methyl-2-naphthalen-2-yloxybenzenecarbothioamide
CID 63519289
2-(3,5-dimethylphenoxy)-4-methylbenzenecarbothioamide
CID 55224434
4-(4-bromo-2-chlorophenoxy)-2-methylbenzenecarbothioamide
CID 81278085
2-(3-bromo-4-fluorophenoxy)-4-methylbenzamide
CID 83233548
4-chloro-2-(4-methylphenoxy)benzenecarbothioamide
CID 63092156
4-[2-(hydroxymethyl)phenoxy]-2-methylbenzenecarbothioamide
CID 81277565
2-bromo-4-(2-fluoro-5-methylphenoxy)benzoic acid
CID 107282560
4-(3-bromo-5-fluorophenoxy)-2-methylbenzenecarbothioamide
CID 81331604

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-5-methylphenoxy)-2-methylbenzenecarbothioamide?
The IUPAC name of 4-(2-fluoro-5-methylphenoxy)-2-methylbenzenecarbothioamide (CID 81277338) is 4-(2-fluoro-5-methylphenoxy)-2-methylbenzenecarbothioamide.
What is the SMILES notation for 4-(2-fluoro-5-methylphenoxy)-2-methylbenzenecarbothioamide?
The canonical SMILES for 4-(2-fluoro-5-methylphenoxy)-2-methylbenzenecarbothioamide is Cc1ccc(F)c(Oc2ccc(C(N)=S)c(C)c2)c1.
What is the InChIKey of 4-(2-fluoro-5-methylphenoxy)-2-methylbenzenecarbothioamide?
The InChIKey is HYFDEJXVIJFLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNOS/c1-9-3-6-13(16)14(7-9)18-11-4-5-12(15(17)19)10(2)8-11/h3-8H,1-2H3,(H2,17,19).
What are the key properties of 4-(2-fluoro-5-methylphenoxy)-2-methylbenzenecarbothioamide?
4-(2-fluoro-5-methylphenoxy)-2-methylbenzenecarbothioamide has a molecular weight of 275.35 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-5-methylphenoxy)-2-methylbenzenecarbothioamide is sourced from PubChem (CID 81277338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).