3-(4-aminophenyl)sulfanylpropan-1-ol

C9H13NOS — CID 43299111

IUPAC3-(4-aminophenyl)sulfanylpropan-1-ol
SMILESNc1ccc(SCCCO)cc1
InChIInChI=1S/C9H13NOS/c10-8-2-4-9(5-3-8)12-7-1-6-11/h2-5,11H,1,6-7,10H2
InChIKeySKMRHSCBMAJRJC-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.74
Rot. Bonds4

About 3-(4-aminophenyl)sulfanylpropan-1-ol

3-(4-aminophenyl)sulfanylpropan-1-ol (PubChem CID 43299111) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 3-(4-aminophenyl)sulfanylpropan-1-ol.

Molecular Properties

Compound Name3-(4-aminophenyl)sulfanylpropan-1-ol
PubChem CID43299111
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name3-(4-aminophenyl)sulfanylpropan-1-ol
SMILESNc1ccc(SCCCO)cc1
InChIInChI=1S/C9H13NOS/c10-8-2-4-9(5-3-8)12-7-1-6-11/h2-5,11H,1,6-7,10H2
InChIKeySKMRHSCBMAJRJC-UHFFFAOYSA-N
XLogP1.74
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(4-aminophenyl)sulfanylpropan-1-ol 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

3-(4-bromophenyl)sulfanylpropan-1-ol
CID 43392834
4-(3-fluoropropylsulfanyl)aniline
CID 81106862
3-pyridin-4-ylsulfanylpropan-1-ol
CID 19079134
4-(4,4,4-trifluorobutylsulfanyl)aniline
CID 115514156
benzene-1,4-diamine;hexane-1,6-diol
CID 139054112
4-(4-aminophenyl)sulfanyl-N-methylbutanamide
CID 63890787
5-(4-fluorophenyl)sulfanylpentan-1-ol
CID 62228825
3-(4-amino-2-chlorophenyl)sulfanylpropan-1-ol
CID 43305115
3-(5-amino-2-methylphenyl)sulfanylpropan-1-ol
CID 66112702
1-[2-amino-4-(3-hydroxypropylsulfanyl)phenyl]ethanone
CID 104529484
methyl 7-(4-aminophenyl)sulfanylheptanoate
CID 118515669
4-[3-(4-methylphenyl)sulfanylpropoxy]aniline
CID 43366275

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)sulfanylpropan-1-ol?
The IUPAC name of 3-(4-aminophenyl)sulfanylpropan-1-ol (CID 43299111) is 3-(4-aminophenyl)sulfanylpropan-1-ol.
What is the SMILES notation for 3-(4-aminophenyl)sulfanylpropan-1-ol?
The canonical SMILES for 3-(4-aminophenyl)sulfanylpropan-1-ol is Nc1ccc(SCCCO)cc1.
What is the InChIKey of 3-(4-aminophenyl)sulfanylpropan-1-ol?
The InChIKey is SKMRHSCBMAJRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c10-8-2-4-9(5-3-8)12-7-1-6-11/h2-5,11H,1,6-7,10H2.
What are the key properties of 3-(4-aminophenyl)sulfanylpropan-1-ol?
3-(4-aminophenyl)sulfanylpropan-1-ol has a molecular weight of 183.28 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)sulfanylpropan-1-ol is sourced from PubChem (CID 43299111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).