2-(2,4-difluorophenyl)sulfanylaniline

C12H9F2NS — CID 43345446

IUPAC2-(2,4-difluorophenyl)sulfanylaniline
SMILESNc1ccccc1Sc1ccc(F)cc1F
InChIInChI=1S/C12H9F2NS/c13-8-5-6-11(9(14)7-8)16-12-4-2-1-3-10(12)15/h1-7H,15H2
InChIKeyRWBUWQCILYFMQQ-UHFFFAOYSA-N
MW237.27 g/mol
LogP3.70
Rot. Bonds2

About 2-(2,4-difluorophenyl)sulfanylaniline

2-(2,4-difluorophenyl)sulfanylaniline (PubChem CID 43345446) has the molecular formula C12H9F2NS and a molecular weight of 237.27 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)sulfanylaniline.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)sulfanylaniline
PubChem CID43345446
Molecular FormulaC12H9F2NS
Molecular Weight237.27 g/mol
Exact Mass237.04
IUPAC Name2-(2,4-difluorophenyl)sulfanylaniline
SMILESNc1ccccc1Sc1ccc(F)cc1F
InChIInChI=1S/C12H9F2NS/c13-8-5-6-11(9(14)7-8)16-12-4-2-1-3-10(12)15/h1-7H,15H2
InChIKeyRWBUWQCILYFMQQ-UHFFFAOYSA-N
XLogP3.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4'-Thiodianiline
CID 8765
Bis(2-aminophenyl) disulfide
CID 14358
1,2-Bis(2-aminophenylthio)ethane
CID 92343
4-((Trifluoromethyl)thio)aniline
CID 123054
2-(Phenylthio)aniline
CID 365393
Benzenamine, 2-(phenylsulfonyl)-
CID 77956
2-(Methylthio)aniline
CID 76337
2-(Isopropylthio)aniline
CID 13852720
2-(Benzylthio)aniline
CID 80616
4-(Phenylthio)aniline
CID 96081
2-Amino-5-fluorobenzene-1-thiol
CID 320547
Benzenamine, 2,2'-(methylenebis(thio))bis-
CID 93685

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)sulfanylaniline?
The IUPAC name of 2-(2,4-difluorophenyl)sulfanylaniline (CID 43345446) is 2-(2,4-difluorophenyl)sulfanylaniline.
What is the SMILES notation for 2-(2,4-difluorophenyl)sulfanylaniline?
The canonical SMILES for 2-(2,4-difluorophenyl)sulfanylaniline is Nc1ccccc1Sc1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)sulfanylaniline?
The InChIKey is RWBUWQCILYFMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NS/c13-8-5-6-11(9(14)7-8)16-12-4-2-1-3-10(12)15/h1-7H,15H2.
What are the key properties of 2-(2,4-difluorophenyl)sulfanylaniline?
2-(2,4-difluorophenyl)sulfanylaniline has a molecular weight of 237.27 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)sulfanylaniline is sourced from PubChem (CID 43345446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).