2-fluoro-N-methylbenzenecarbothioamide

C8H8FNS — CID 83390122

IUPAC2-fluoro-N-methylbenzenecarbothioamide
SMILESCNC(=S)c1ccccc1F
InChIInChI=1S/C8H8FNS/c1-10-8(11)6-4-2-3-5-7(6)9/h2-5H,1H3,(H,10,11)
InChIKeyRMHHVBFOYPSWHL-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.72
Rot. Bonds1

About 2-fluoro-N-methylbenzenecarbothioamide

2-fluoro-N-methylbenzenecarbothioamide (PubChem CID 83390122) has the molecular formula C8H8FNS and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-fluoro-N-methylbenzenecarbothioamide.

Molecular Properties

Compound Name2-fluoro-N-methylbenzenecarbothioamide
PubChem CID83390122
Molecular FormulaC8H8FNS
Molecular Weight169.22 g/mol
Exact Mass169.04
IUPAC Name2-fluoro-N-methylbenzenecarbothioamide
SMILESCNC(=S)c1ccccc1F
InChIInChI=1S/C8H8FNS/c1-10-8(11)6-4-2-3-5-7(6)9/h2-5H,1H3,(H,10,11)
InChIKeyRMHHVBFOYPSWHL-UHFFFAOYSA-N
XLogP1.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-methylbenzenecarbothioamide
CID 10797150
1-[(Z)-1-(2-fluorophenyl)ethylideneamino]-3-methylthiourea
CID 9071843
ethane;2-fluoro-N-methylbenzamide
CID 178102327
N-methyl-2-propan-2-ylbenzenecarbothioamide
CID 10965376
2-fluoro-N-methylbenzamide;hydrate
CID 141303255
2-fluoro-N-[2-(methylamino)-2-oxoethoxy]benzamide
CID 110495597
(Z)-2-(2-fluorophenyl)-2-hydrazinyl-N-methylethenamine
CID 138631129
3,6-difluoro-N,2-dimethylbenzenecarbothioamide
CID 163623914
2-fluorobenzamide;dihydrochloride
CID 22563899
ethane;2-fluorobenzoic acid
CID 91182768
N-[2-[(N,N'-dimethylcarbamimidoyl)amino]ethyl]-2-fluorobenzamide;hydroiodide
CID 110917981
2-fluoro-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
CID 61046623

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methylbenzenecarbothioamide?
The IUPAC name of 2-fluoro-N-methylbenzenecarbothioamide (CID 83390122) is 2-fluoro-N-methylbenzenecarbothioamide.
What is the SMILES notation for 2-fluoro-N-methylbenzenecarbothioamide?
The canonical SMILES for 2-fluoro-N-methylbenzenecarbothioamide is CNC(=S)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-methylbenzenecarbothioamide?
The InChIKey is RMHHVBFOYPSWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNS/c1-10-8(11)6-4-2-3-5-7(6)9/h2-5H,1H3,(H,10,11).
What are the key properties of 2-fluoro-N-methylbenzenecarbothioamide?
2-fluoro-N-methylbenzenecarbothioamide has a molecular weight of 169.22 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methylbenzenecarbothioamide is sourced from PubChem (CID 83390122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).