3-fluoro-5-thiophen-2-ylsulfanylaniline

C10H8FNS2 — CID 60876339

IUPAC3-fluoro-5-thiophen-2-ylsulfanylaniline
SMILESNc1cc(F)cc(Sc2cccs2)c1
InChIInChI=1S/C10H8FNS2/c11-7-4-8(12)6-9(5-7)14-10-2-1-3-13-10/h1-6H,12H2
InChIKeyQQHIGGCMUDZDLP-UHFFFAOYSA-N
MW225.31 g/mol
LogP3.62
Rot. Bonds2

About 3-fluoro-5-thiophen-2-ylsulfanylaniline

3-fluoro-5-thiophen-2-ylsulfanylaniline (PubChem CID 60876339) has the molecular formula C10H8FNS2 and a molecular weight of 225.31 g/mol. Its IUPAC name is 3-fluoro-5-thiophen-2-ylsulfanylaniline.

Molecular Properties

Compound Name3-fluoro-5-thiophen-2-ylsulfanylaniline
PubChem CID60876339
Molecular FormulaC10H8FNS2
Molecular Weight225.31 g/mol
Exact Mass225.01
IUPAC Name3-fluoro-5-thiophen-2-ylsulfanylaniline
SMILESNc1cc(F)cc(Sc2cccs2)c1
InChIInChI=1S/C10H8FNS2/c11-7-4-8(12)6-9(5-7)14-10-2-1-3-13-10/h1-6H,12H2
InChIKeyQQHIGGCMUDZDLP-UHFFFAOYSA-N
XLogP3.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-Phenylthiophene-2-sulfonamide
CID 769062
N-[3-(methylthio)phenyl]-2-thiophenesulfonamide
CID 893410
Benzenamine, 3-(ethylthio)-
CID 74510
N-(2-fluorophenyl)-2-thiophenesulfonamide
CID 769026
3-(Propylsulfanyl)aniline
CID 22227794
N-(3,4-difluorophenyl)thiophene-2-sulfonamide
CID 769032
N-(4-fluorophenyl)thiophene-2-sulfonamide
CID 769017
N-(3-fluorophenyl)-2-thiophenesulfonamide
CID 769023
N-(2,4-difluorophenyl)-5-methylthiophene-2-sulfonamide
CID 16384423
2-{[(Thiophen-3-yl)methyl]sulfanyl}aniline
CID 7064089
3-Fluoro-4-(thiophen-2-yl)aniline
CID 61679103
Aniline;thiophene
CID 69418942

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-thiophen-2-ylsulfanylaniline?
The IUPAC name of 3-fluoro-5-thiophen-2-ylsulfanylaniline (CID 60876339) is 3-fluoro-5-thiophen-2-ylsulfanylaniline.
What is the SMILES notation for 3-fluoro-5-thiophen-2-ylsulfanylaniline?
The canonical SMILES for 3-fluoro-5-thiophen-2-ylsulfanylaniline is Nc1cc(F)cc(Sc2cccs2)c1.
What is the InChIKey of 3-fluoro-5-thiophen-2-ylsulfanylaniline?
The InChIKey is QQHIGGCMUDZDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNS2/c11-7-4-8(12)6-9(5-7)14-10-2-1-3-13-10/h1-6H,12H2.
What are the key properties of 3-fluoro-5-thiophen-2-ylsulfanylaniline?
3-fluoro-5-thiophen-2-ylsulfanylaniline has a molecular weight of 225.31 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-thiophen-2-ylsulfanylaniline is sourced from PubChem (CID 60876339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).