(4-amino-2-chlorophenyl) thiohypofluorite

C6H5ClFNS — CID 144675924

IUPAC(4-amino-2-chlorophenyl) thiohypofluorite
SMILESNc1ccc(SF)c(Cl)c1
InChIInChI=1S/C6H5ClFNS/c7-5-3-4(9)1-2-6(5)10-8/h1-3H,9H2
InChIKeyVNVAJTOPYNJEMB-UHFFFAOYSA-N
MW177.63 g/mol
LogP2.90
Rot. Bonds1

About (4-amino-2-chlorophenyl) thiohypofluorite

(4-amino-2-chlorophenyl) thiohypofluorite (PubChem CID 144675924) has the molecular formula C6H5ClFNS and a molecular weight of 177.63 g/mol. Its IUPAC name is (4-amino-2-chlorophenyl) thiohypofluorite.

Molecular Properties

Compound Name(4-amino-2-chlorophenyl) thiohypofluorite
PubChem CID144675924
Molecular FormulaC6H5ClFNS
Molecular Weight177.63 g/mol
Exact Mass176.98
IUPAC Name(4-amino-2-chlorophenyl) thiohypofluorite
SMILESNc1ccc(SF)c(Cl)c1
InChIInChI=1S/C6H5ClFNS/c7-5-3-4(9)1-2-6(5)10-8/h1-3H,9H2
InChIKeyVNVAJTOPYNJEMB-UHFFFAOYSA-N
XLogP2.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.63
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4-amino-2-chlorophenyl) thiohypofluorite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-chloro-4-methylphenyl) thiohypofluorite
CID 144706929
3,4-dichloroaniline
CID 7257
4-(4-amino-2-chlorophenyl)sulfanylphenol
CID 91879703
4-(4-bromophenyl)sulfanyl-3-chloroaniline
CID 43345337
3-(4-amino-2-chlorophenyl)sulfanylpropan-1-ol
CID 43305115
3-chloro-4-(4-chloro-2-methylphenyl)sulfanylaniline
CID 10221452
4-butylsulfanyl-3-chloroaniline
CID 43305432
4-[(3-aminophenyl)methylsulfanyl]-3-chloroaniline
CID 113274190
1-(4-amino-2-chlorophenyl)sulfanyl-2-methylpropan-2-ol
CID 60884003
5-(4-amino-2-chlorophenyl)sulfanylpentan-1-ol
CID 62229037
3-chloro-4-(4-methylpentylsulfanyl)aniline
CID 83159114
6-[(4-amino-2-chlorophenyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 43305266

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-chlorophenyl) thiohypofluorite?
The IUPAC name of (4-amino-2-chlorophenyl) thiohypofluorite (CID 144675924) is (4-amino-2-chlorophenyl) thiohypofluorite.
What is the SMILES notation for (4-amino-2-chlorophenyl) thiohypofluorite?
The canonical SMILES for (4-amino-2-chlorophenyl) thiohypofluorite is Nc1ccc(SF)c(Cl)c1.
What is the InChIKey of (4-amino-2-chlorophenyl) thiohypofluorite?
The InChIKey is VNVAJTOPYNJEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClFNS/c7-5-3-4(9)1-2-6(5)10-8/h1-3H,9H2.
What are the key properties of (4-amino-2-chlorophenyl) thiohypofluorite?
(4-amino-2-chlorophenyl) thiohypofluorite has a molecular weight of 177.63 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-chlorophenyl) thiohypofluorite is sourced from PubChem (CID 144675924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).