4-fluoro-2-(methoxymethyl)benzenecarbothioamide

C9H10FNOS — CID 64765248

IUPAC4-fluoro-2-(methoxymethyl)benzenecarbothioamide
SMILESCOCc1cc(F)ccc1C(N)=S
InChIInChI=1S/C9H10FNOS/c1-12-5-6-4-7(10)2-3-8(6)9(11)13/h2-4H,5H2,1H3,(H2,11,13)
InChIKeyXPPQLVTUOLUVMA-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.61
Rot. Bonds3

About 4-fluoro-2-(methoxymethyl)benzenecarbothioamide

4-fluoro-2-(methoxymethyl)benzenecarbothioamide (PubChem CID 64765248) has the molecular formula C9H10FNOS and a molecular weight of 199.25 g/mol. Its IUPAC name is 4-fluoro-2-(methoxymethyl)benzenecarbothioamide.

Molecular Properties

Compound Name4-fluoro-2-(methoxymethyl)benzenecarbothioamide
PubChem CID64765248
Molecular FormulaC9H10FNOS
Molecular Weight199.25 g/mol
Exact Mass199.05
IUPAC Name4-fluoro-2-(methoxymethyl)benzenecarbothioamide
SMILESCOCc1cc(F)ccc1C(N)=S
InChIInChI=1S/C9H10FNOS/c1-12-5-6-4-7(10)2-3-8(6)9(11)13/h2-4H,5H2,1H3,(H2,11,13)
InChIKeyXPPQLVTUOLUVMA-UHFFFAOYSA-N
XLogP1.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.61
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

4-fluoro-2-(propoxymethyl)benzenecarbothioamide
CID 64763604
4-fluoro-2-(methoxymethyl)benzoic acid
CID 91235487
methyl 4-fluoro-2-(methoxymethyl)benzoate
CID 21075354
4-fluoro-2-[(2,4,6-tribromophenoxy)methyl]benzenecarbothioamide
CID 64765996
2-[(3-ethoxyphenoxy)methyl]-4-fluorobenzenecarbothioamide
CID 64764888
2-[(2,4-dichlorophenoxy)methyl]-4-fluorobenzenecarbothioamide
CID 64764509
2-[(2,3-dichlorophenoxy)methyl]-4-fluorobenzenecarbothioamide
CID 64764513
[5-fluoro-2-(methoxymethyl)phenyl]methanamine
CID 63289386
4-fluoro-2-(methoxymethyl)aniline;hydrochloride
CID 75481190
4-fluoro-2-(3-pyridin-4-ylpropoxymethyl)benzenecarbothioamide
CID 64766178
2,4-difluorobenzenecarbothioamide
CID 2781868
4-fluoro-2-[[2-hydroxyethyl(propyl)amino]methyl]benzenecarbothioamide
CID 64765415

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(methoxymethyl)benzenecarbothioamide?
The IUPAC name of 4-fluoro-2-(methoxymethyl)benzenecarbothioamide (CID 64765248) is 4-fluoro-2-(methoxymethyl)benzenecarbothioamide.
What is the SMILES notation for 4-fluoro-2-(methoxymethyl)benzenecarbothioamide?
The canonical SMILES for 4-fluoro-2-(methoxymethyl)benzenecarbothioamide is COCc1cc(F)ccc1C(N)=S.
What is the InChIKey of 4-fluoro-2-(methoxymethyl)benzenecarbothioamide?
The InChIKey is XPPQLVTUOLUVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNOS/c1-12-5-6-4-7(10)2-3-8(6)9(11)13/h2-4H,5H2,1H3,(H2,11,13).
What are the key properties of 4-fluoro-2-(methoxymethyl)benzenecarbothioamide?
4-fluoro-2-(methoxymethyl)benzenecarbothioamide has a molecular weight of 199.25 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(methoxymethyl)benzenecarbothioamide is sourced from PubChem (CID 64765248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).