4-(propylsulfanylamino)sulfanylaniline

C9H14N2S2 — CID 123942102

IUPAC4-(propylsulfanylamino)sulfanylaniline
SMILESCCCSNSc1ccc(N)cc1
InChIInChI=1S/C9H14N2S2/c1-2-7-12-11-13-9-5-3-8(10)4-6-9/h3-6,11H,2,7,10H2,1H3
InChIKeyLEFUJPOEVWURQG-UHFFFAOYSA-N
MW214.36 g/mol
LogP2.92
Rot. Bonds5

About 4-(propylsulfanylamino)sulfanylaniline

4-(propylsulfanylamino)sulfanylaniline (PubChem CID 123942102) has the molecular formula C9H14N2S2 and a molecular weight of 214.36 g/mol. Its IUPAC name is 4-(propylsulfanylamino)sulfanylaniline.

Molecular Properties

Compound Name4-(propylsulfanylamino)sulfanylaniline
PubChem CID123942102
Molecular FormulaC9H14N2S2
Molecular Weight214.36 g/mol
Exact Mass214.06
IUPAC Name4-(propylsulfanylamino)sulfanylaniline
SMILESCCCSNSc1ccc(N)cc1
InChIInChI=1S/C9H14N2S2/c1-2-7-12-11-13-9-5-3-8(10)4-6-9/h3-6,11H,2,7,10H2,1H3
InChIKeyLEFUJPOEVWURQG-UHFFFAOYSA-N
XLogP2.92
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.36
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(propylsulfanylamino)sulfanylaniline 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

4-methyl-3-N-propylsulfanylbenzene-1,3-diamine
CID 145497779
benzene-1,4-diamine;butane
CID 67434753
4-propylsulfanylbenzene-1,2-diamine
CID 3017084
3-(4-aminophenyl)sulfanyl-N-ethylpropanamide
CID 62324245
3-(4-aminophenyl)sulfanylpropanehydrazide
CID 63580911
2-(4-aminophenyl)sulfanyl-2-ethylbutanoic acid
CID 114994643
methyl 3-(4-aminophenyl)sulfanylpropanoate
CID 14790237
4-(4-aminophenyl)sulfanylaniline
CID 8765
N-(4-aminophenyl)sulfanyl-2-methylpropanamide
CID 156816750
4-(4-aminophenyl)sulfanyl-N-methylbutanamide
CID 63890787
4-[2-(methylaminosulfanyl)ethyl]aniline
CID 142803356
2-[(2-aminophenyl)disulfanyl]aniline;4-[(4-methylphenyl)disulfanyl]aniline;2-(propyldisulfanyl)ethanamine
CID 159571202

Frequently Asked Questions

What is the IUPAC name of 4-(propylsulfanylamino)sulfanylaniline?
The IUPAC name of 4-(propylsulfanylamino)sulfanylaniline (CID 123942102) is 4-(propylsulfanylamino)sulfanylaniline.
What is the SMILES notation for 4-(propylsulfanylamino)sulfanylaniline?
The canonical SMILES for 4-(propylsulfanylamino)sulfanylaniline is CCCSNSc1ccc(N)cc1.
What is the InChIKey of 4-(propylsulfanylamino)sulfanylaniline?
The InChIKey is LEFUJPOEVWURQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S2/c1-2-7-12-11-13-9-5-3-8(10)4-6-9/h3-6,11H,2,7,10H2,1H3.
What are the key properties of 4-(propylsulfanylamino)sulfanylaniline?
4-(propylsulfanylamino)sulfanylaniline has a molecular weight of 214.36 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propylsulfanylamino)sulfanylaniline is sourced from PubChem (CID 123942102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).