2-amino-4-(4-propylphenyl)sulfanylphenol

C15H17NOS — CID 70533784

IUPAC2-amino-4-(4-propylphenyl)sulfanylphenol
SMILESCCCc1ccc(Sc2ccc(O)c(N)c2)cc1
InChIInChI=1S/C15H17NOS/c1-2-3-11-4-6-12(7-5-11)18-13-8-9-15(17)14(16)10-13/h4-10,17H,2-3,16H2,1H3
InChIKeyMRXQZNIFEYVRRS-UHFFFAOYSA-N
MW259.37 g/mol
LogP4.08
Rot. Bonds4

About 2-amino-4-(4-propylphenyl)sulfanylphenol

2-amino-4-(4-propylphenyl)sulfanylphenol (PubChem CID 70533784) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 2-amino-4-(4-propylphenyl)sulfanylphenol.

Molecular Properties

Compound Name2-amino-4-(4-propylphenyl)sulfanylphenol
PubChem CID70533784
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name2-amino-4-(4-propylphenyl)sulfanylphenol
SMILESCCCc1ccc(Sc2ccc(O)c(N)c2)cc1
InChIInChI=1S/C15H17NOS/c1-2-3-11-4-6-12(7-5-11)18-13-8-9-15(17)14(16)10-13/h4-10,17H,2-3,16H2,1H3
InChIKeyMRXQZNIFEYVRRS-UHFFFAOYSA-N
XLogP4.08
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-propylphenyl)sulfanylphenol?
The IUPAC name of 2-amino-4-(4-propylphenyl)sulfanylphenol (CID 70533784) is 2-amino-4-(4-propylphenyl)sulfanylphenol.
What is the SMILES notation for 2-amino-4-(4-propylphenyl)sulfanylphenol?
The canonical SMILES for 2-amino-4-(4-propylphenyl)sulfanylphenol is CCCc1ccc(Sc2ccc(O)c(N)c2)cc1.
What is the InChIKey of 2-amino-4-(4-propylphenyl)sulfanylphenol?
The InChIKey is MRXQZNIFEYVRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-2-3-11-4-6-12(7-5-11)18-13-8-9-15(17)14(16)10-13/h4-10,17H,2-3,16H2,1H3.
What are the key properties of 2-amino-4-(4-propylphenyl)sulfanylphenol?
2-amino-4-(4-propylphenyl)sulfanylphenol has a molecular weight of 259.37 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-propylphenyl)sulfanylphenol is sourced from PubChem (CID 70533784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).