5-fluoro-2,4-dimethyl-N-[methyl(methylidene)-λ4-sulfanyl]aniline

C10H14FNS — CID 145156034

IUPAC5-fluoro-2,4-dimethyl-N-[methyl(methylidene)-λ4-sulfanyl]aniline
SMILESC=S(C)Nc1cc(F)c(C)cc1C
InChIInChI=1S/C10H14FNS/c1-7-5-8(2)10(6-9(7)11)12-13(3)4/h5-6,12H,3H2,1-2,4H3
InChIKeyBSYTVTHFGBFLRS-UHFFFAOYSA-N
MW199.29 g/mol
LogP3.10
Rot. Bonds2

About 5-fluoro-2,4-dimethyl-N-[methyl(methylidene)-λ4-sulfanyl]aniline

5-fluoro-2,4-dimethyl-N-[methyl(methylidene)-λ4-sulfanyl]aniline (PubChem CID 145156034) has the molecular formula C10H14FNS and a molecular weight of 199.29 g/mol. Its IUPAC name is 5-fluoro-2,4-dimethyl-N-[methyl(methylidene)-λ4-sulfanyl]aniline.

Molecular Properties

Compound Name5-fluoro-2,4-dimethyl-N-[methyl(methylidene)-λ4-sulfanyl]aniline
PubChem CID145156034
Molecular FormulaC10H14FNS
Molecular Weight199.29 g/mol
Exact Mass199.08
IUPAC Name5-fluoro-2,4-dimethyl-N-[methyl(methylidene)-λ4-sulfanyl]aniline
SMILESC=S(C)Nc1cc(F)c(C)cc1C
InChIInChI=1S/C10H14FNS/c1-7-5-8(2)10(6-9(7)11)12-13(3)4/h5-6,12H,3H2,1-2,4H3
InChIKeyBSYTVTHFGBFLRS-UHFFFAOYSA-N
XLogP3.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,4-dimethyl-N-[methyl(methylidene)-λ4-sulfanyl]aniline?
The IUPAC name of 5-fluoro-2,4-dimethyl-N-[methyl(methylidene)-λ4-sulfanyl]aniline (CID 145156034) is 5-fluoro-2,4-dimethyl-N-[methyl(methylidene)-λ4-sulfanyl]aniline.
What is the SMILES notation for 5-fluoro-2,4-dimethyl-N-[methyl(methylidene)-λ4-sulfanyl]aniline?
The canonical SMILES for 5-fluoro-2,4-dimethyl-N-[methyl(methylidene)-λ4-sulfanyl]aniline is C=S(C)Nc1cc(F)c(C)cc1C.
What is the InChIKey of 5-fluoro-2,4-dimethyl-N-[methyl(methylidene)-λ4-sulfanyl]aniline?
The InChIKey is BSYTVTHFGBFLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNS/c1-7-5-8(2)10(6-9(7)11)12-13(3)4/h5-6,12H,3H2,1-2,4H3.
What are the key properties of 5-fluoro-2,4-dimethyl-N-[methyl(methylidene)-λ4-sulfanyl]aniline?
5-fluoro-2,4-dimethyl-N-[methyl(methylidene)-λ4-sulfanyl]aniline has a molecular weight of 199.29 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,4-dimethyl-N-[methyl(methylidene)-λ4-sulfanyl]aniline is sourced from PubChem (CID 145156034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).