2-[(2-fluorophenyl)methoxy]-3-methylbenzenecarbothioamide

C15H14FNOS — CID 107108925

IUPAC2-[(2-fluorophenyl)methoxy]-3-methylbenzenecarbothioamide
SMILESCc1cccc(C(N)=S)c1OCc1ccccc1F
InChIInChI=1S/C15H14FNOS/c1-10-5-4-7-12(15(17)19)14(10)18-9-11-6-2-3-8-13(11)16/h2-8H,9H2,1H3,(H2,17,19)
InChIKeyJJXHIVMJTVAPCV-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.35
Rot. Bonds4

About 2-[(2-fluorophenyl)methoxy]-3-methylbenzenecarbothioamide

2-[(2-fluorophenyl)methoxy]-3-methylbenzenecarbothioamide (PubChem CID 107108925) has the molecular formula C15H14FNOS and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methoxy]-3-methylbenzenecarbothioamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methoxy]-3-methylbenzenecarbothioamide
PubChem CID107108925
Molecular FormulaC15H14FNOS
Molecular Weight275.35 g/mol
Exact Mass275.08
IUPAC Name2-[(2-fluorophenyl)methoxy]-3-methylbenzenecarbothioamide
SMILESCc1cccc(C(N)=S)c1OCc1ccccc1F
InChIInChI=1S/C15H14FNOS/c1-10-5-4-7-12(15(17)19)14(10)18-9-11-6-2-3-8-13(11)16/h2-8H,9H2,1H3,(H2,17,19)
InChIKeyJJXHIVMJTVAPCV-UHFFFAOYSA-N
XLogP3.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.35
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-[(2-fluorophenyl)methoxy]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109832
2-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
CID 112614778
3-methyl-2-(2-phenoxyethoxy)benzenecarbothioamide
CID 107108759
2-(2,2-difluoroethoxy)-3-methylbenzenecarbothioamide
CID 107108968
1-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]butan-2-amine
CID 115958198
4-[(2-chloro-3-fluorophenyl)methoxy]-3,5-dimethylbenzenecarbothioamide
CID 115982909
[4-[(2-fluorophenyl)methoxy]-3,5-dimethylphenyl]methanol
CID 28933284
6-[(2-fluorophenyl)methoxy]pyridine-2-carbothioamide
CID 64593561
3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxybenzenecarbothioamide
CID 20989280
3-fluoro-2-[(2-fluorophenyl)methoxy]aniline
CID 113458208
2-[(2-fluorophenyl)methoxy]-3,5-dimethylaniline
CID 62058212
4-[(2,6-dimethylphenoxy)methyl]-3-methylbenzenecarbothioamide
CID 114482196

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methoxy]-3-methylbenzenecarbothioamide?
The IUPAC name of 2-[(2-fluorophenyl)methoxy]-3-methylbenzenecarbothioamide (CID 107108925) is 2-[(2-fluorophenyl)methoxy]-3-methylbenzenecarbothioamide.
What is the SMILES notation for 2-[(2-fluorophenyl)methoxy]-3-methylbenzenecarbothioamide?
The canonical SMILES for 2-[(2-fluorophenyl)methoxy]-3-methylbenzenecarbothioamide is Cc1cccc(C(N)=S)c1OCc1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)methoxy]-3-methylbenzenecarbothioamide?
The InChIKey is JJXHIVMJTVAPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNOS/c1-10-5-4-7-12(15(17)19)14(10)18-9-11-6-2-3-8-13(11)16/h2-8H,9H2,1H3,(H2,17,19).
What are the key properties of 2-[(2-fluorophenyl)methoxy]-3-methylbenzenecarbothioamide?
2-[(2-fluorophenyl)methoxy]-3-methylbenzenecarbothioamide has a molecular weight of 275.35 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methoxy]-3-methylbenzenecarbothioamide is sourced from PubChem (CID 107108925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).