3-fluoro-4-(methylamino)benzenecarbothioamide

C8H9FN2S — CID 43657682

IUPAC3-fluoro-4-(methylamino)benzenecarbothioamide
SMILESCNc1ccc(C(N)=S)cc1F
InChIInChI=1S/C8H9FN2S/c1-11-7-3-2-5(8(10)12)4-6(7)9/h2-4,11H,1H3,(H2,10,12)
InChIKeyUOPIATHQPMOPKI-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.50
Rot. Bonds2

About 3-fluoro-4-(methylamino)benzenecarbothioamide

3-fluoro-4-(methylamino)benzenecarbothioamide (PubChem CID 43657682) has the molecular formula C8H9FN2S and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-fluoro-4-(methylamino)benzenecarbothioamide.

Molecular Properties

Compound Name3-fluoro-4-(methylamino)benzenecarbothioamide
PubChem CID43657682
Molecular FormulaC8H9FN2S
Molecular Weight184.24 g/mol
Exact Mass184.05
IUPAC Name3-fluoro-4-(methylamino)benzenecarbothioamide
SMILESCNc1ccc(C(N)=S)cc1F
InChIInChI=1S/C8H9FN2S/c1-11-7-3-2-5(8(10)12)4-6(7)9/h2-4,11H,1H3,(H2,10,12)
InChIKeyUOPIATHQPMOPKI-UHFFFAOYSA-N
XLogP1.50
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2,4-difluoroanilino)-3-fluorobenzenecarbothioamide
CID 43657806
3-bromo-4-(methylamino)benzenecarbothioamide
CID 82804993
3-fluoro-4-(5-methylhexylamino)benzenecarbothioamide
CID 113287511
3-fluoro-4-(pentylamino)benzenecarbothioamide
CID 43657742
3-fluoro-4-(5-fluoro-2-methylanilino)benzenecarbothioamide
CID 43657808
4-(2,4-dichloroanilino)-3-fluorobenzenecarbothioamide
CID 43657727
4-(3,5-dichloroanilino)-3-fluorobenzenecarbothioamide
CID 43657752
4-(2,5-dichloro-4-methylanilino)-3-fluorobenzenecarbothioamide
CID 104727259
4-(3-bromo-5-methylanilino)-3-fluorobenzenecarbothioamide
CID 107583698
N-tert-butyl-2-(4-carbamothioyl-2-fluoroanilino)acetamide
CID 115356360
4-(2-chloroanilino)-3-fluorobenzenecarbothioamide
CID 43657796
4-(2-fluoro-4-methylanilino)-3-methylbenzenecarbothioamide
CID 54933865

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(methylamino)benzenecarbothioamide?
The IUPAC name of 3-fluoro-4-(methylamino)benzenecarbothioamide (CID 43657682) is 3-fluoro-4-(methylamino)benzenecarbothioamide.
What is the SMILES notation for 3-fluoro-4-(methylamino)benzenecarbothioamide?
The canonical SMILES for 3-fluoro-4-(methylamino)benzenecarbothioamide is CNc1ccc(C(N)=S)cc1F.
What is the InChIKey of 3-fluoro-4-(methylamino)benzenecarbothioamide?
The InChIKey is UOPIATHQPMOPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2S/c1-11-7-3-2-5(8(10)12)4-6(7)9/h2-4,11H,1H3,(H2,10,12).
What are the key properties of 3-fluoro-4-(methylamino)benzenecarbothioamide?
3-fluoro-4-(methylamino)benzenecarbothioamide has a molecular weight of 184.24 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(methylamino)benzenecarbothioamide is sourced from PubChem (CID 43657682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).