2-(4-aminobutylsulfanyl)phenol

C10H15NOS — CID 84667847

IUPAC2-(4-aminobutylsulfanyl)phenol
SMILESNCCCCSc1ccccc1O
InChIInChI=1S/C10H15NOS/c11-7-3-4-8-13-10-6-2-1-5-9(10)12/h1-2,5-6,12H,3-4,7-8,11H2
InChIKeyKHDDBSVLCTXSIK-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.22
Rot. Bonds5

About 2-(4-aminobutylsulfanyl)phenol

2-(4-aminobutylsulfanyl)phenol (PubChem CID 84667847) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 2-(4-aminobutylsulfanyl)phenol.

Molecular Properties

Compound Name2-(4-aminobutylsulfanyl)phenol
PubChem CID84667847
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name2-(4-aminobutylsulfanyl)phenol
SMILESNCCCCSc1ccccc1O
InChIInChI=1S/C10H15NOS/c11-7-3-4-8-13-10-6-2-1-5-9(10)12/h1-2,5-6,12H,3-4,7-8,11H2
InChIKeyKHDDBSVLCTXSIK-UHFFFAOYSA-N
XLogP2.22
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-tetracosylsulfanylphenol
CID 139712021
5-phenylsulfanylpentan-1-amine
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2-(2-phenylethylsulfanyl)phenol
CID 10823369
N-[3-(2-hydroxyphenyl)sulfanylpropyl]acetamide
CID 71981298
2-(2-hydroxyphenyl)sulfanylethyl-oxophosphanium
CID 123192052
2-[2-(4-fluorophenyl)sulfanylethylsulfanyl]phenol
CID 62000695
4-(2,5-difluorophenyl)sulfanylbutan-1-amine
CID 43530759
2-[3-[3,3-diphenylpropyl(methyl)amino]propylsulfanyl]phenol
CID 70561741
2-[2-(3-methoxypropoxy)ethylsulfanyl]phenol
CID 103182103
N-[2-(2-hydroxyphenyl)sulfanylethyl]acetamide
CID 62000119
6-pyridin-2-ylsulfanylhexan-1-amine
CID 15227692
2-[3-(dicyclohexylamino)propylsulfanyl]phenol;hydrochloride
CID 70617596

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutylsulfanyl)phenol?
The IUPAC name of 2-(4-aminobutylsulfanyl)phenol (CID 84667847) is 2-(4-aminobutylsulfanyl)phenol.
What is the SMILES notation for 2-(4-aminobutylsulfanyl)phenol?
The canonical SMILES for 2-(4-aminobutylsulfanyl)phenol is NCCCCSc1ccccc1O.
What is the InChIKey of 2-(4-aminobutylsulfanyl)phenol?
The InChIKey is KHDDBSVLCTXSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c11-7-3-4-8-13-10-6-2-1-5-9(10)12/h1-2,5-6,12H,3-4,7-8,11H2.
What are the key properties of 2-(4-aminobutylsulfanyl)phenol?
2-(4-aminobutylsulfanyl)phenol has a molecular weight of 197.30 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutylsulfanyl)phenol is sourced from PubChem (CID 84667847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).