5-amino-2-butylsulfanylphenol

C10H15NOS — CID 18997691

IUPAC5-amino-2-butylsulfanylphenol
SMILESCCCCSc1ccc(N)cc1O
InChIInChI=1S/C10H15NOS/c1-2-3-6-13-10-5-4-8(11)7-9(10)12/h4-5,7,12H,2-3,6,11H2,1H3
InChIKeyUYSQFCAJMJTFGC-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.87
Rot. Bonds4

About 5-amino-2-butylsulfanylphenol

5-amino-2-butylsulfanylphenol (PubChem CID 18997691) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 5-amino-2-butylsulfanylphenol.

Molecular Properties

Compound Name5-amino-2-butylsulfanylphenol
PubChem CID18997691
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name5-amino-2-butylsulfanylphenol
SMILESCCCCSc1ccc(N)cc1O
InChIInChI=1S/C10H15NOS/c1-2-3-6-13-10-5-4-8(11)7-9(10)12/h4-5,7,12H,2-3,6,11H2,1H3
InChIKeyUYSQFCAJMJTFGC-UHFFFAOYSA-N
XLogP2.87
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.87
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'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-butylsulfanylphenol?
The IUPAC name of 5-amino-2-butylsulfanylphenol (CID 18997691) is 5-amino-2-butylsulfanylphenol.
What is the SMILES notation for 5-amino-2-butylsulfanylphenol?
The canonical SMILES for 5-amino-2-butylsulfanylphenol is CCCCSc1ccc(N)cc1O.
What is the InChIKey of 5-amino-2-butylsulfanylphenol?
The InChIKey is UYSQFCAJMJTFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-2-3-6-13-10-5-4-8(11)7-9(10)12/h4-5,7,12H,2-3,6,11H2,1H3.
What are the key properties of 5-amino-2-butylsulfanylphenol?
5-amino-2-butylsulfanylphenol has a molecular weight of 197.30 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-butylsulfanylphenol is sourced from PubChem (CID 18997691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).