4-fluoro-N-(methylaminosulfanyl)aniline

C7H9FN2S — CID 145139879

IUPAC4-fluoro-N-(methylaminosulfanyl)aniline
SMILESCNSNc1ccc(F)cc1
InChIInChI=1S/C7H9FN2S/c1-9-11-10-7-4-2-6(8)3-5-7/h2-5,9-10H,1H3
InChIKeyWMHWLORFWGTNLT-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.02
Rot. Bonds3

About 4-fluoro-N-(methylaminosulfanyl)aniline

4-fluoro-N-(methylaminosulfanyl)aniline (PubChem CID 145139879) has the molecular formula C7H9FN2S and a molecular weight of 172.23 g/mol. Its IUPAC name is 4-fluoro-N-(methylaminosulfanyl)aniline.

Molecular Properties

Compound Name4-fluoro-N-(methylaminosulfanyl)aniline
PubChem CID145139879
Molecular FormulaC7H9FN2S
Molecular Weight172.23 g/mol
Exact Mass172.05
IUPAC Name4-fluoro-N-(methylaminosulfanyl)aniline
SMILESCNSNc1ccc(F)cc1
InChIInChI=1S/C7H9FN2S/c1-9-11-10-7-4-2-6(8)3-5-7/h2-5,9-10H,1H3
InChIKeyWMHWLORFWGTNLT-UHFFFAOYSA-N
XLogP2.02
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-(4-fluorophenyl)-1-N-methylbenzene-1,4-diamine
CID 101413906
N-dimethylindiganyl-4-fluoroaniline
CID 139798759
chloromethane;(4-fluorophenyl)hydrazine
CID 158547421
1,1-dichloro-2-(4-fluorophenyl)hydrazine
CID 87433195
4-fluoro-N-propan-2-yl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-amine
CID 169440641
N-tert-butylsulfanyl-4-[(4-fluoroanilino)methyl]aniline
CID 59231337
(4-fluorophenyl)hydrazine;hydrate
CID 19886243
N-bis(4-fluoroanilino)boranyl-4-fluoroaniline
CID 139173825
1-N,3-N,5-N-tris(4-fluorophenyl)benzene-1,3,5-triamine
CID 14762541
1,4-difluorobenzene bromide
CID 21301175
S-[2-[4-[(4-fluorophenyl)sulfanylamino]phenyl]-2-oxoethyl] ethanethioate
CID 143156172
4-fluoro-N-(2-fluoro-5-nitrophenyl)sulfanylaniline
CID 156859850

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(methylaminosulfanyl)aniline?
The IUPAC name of 4-fluoro-N-(methylaminosulfanyl)aniline (CID 145139879) is 4-fluoro-N-(methylaminosulfanyl)aniline.
What is the SMILES notation for 4-fluoro-N-(methylaminosulfanyl)aniline?
The canonical SMILES for 4-fluoro-N-(methylaminosulfanyl)aniline is CNSNc1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(methylaminosulfanyl)aniline?
The InChIKey is WMHWLORFWGTNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2S/c1-9-11-10-7-4-2-6(8)3-5-7/h2-5,9-10H,1H3.
What are the key properties of 4-fluoro-N-(methylaminosulfanyl)aniline?
4-fluoro-N-(methylaminosulfanyl)aniline has a molecular weight of 172.23 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(methylaminosulfanyl)aniline is sourced from PubChem (CID 145139879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).