4-(1-aminoprop-2-enylsulfanyl)phenol

C9H11NOS — CID 70479911

IUPAC4-(1-aminoprop-2-enylsulfanyl)phenol
SMILESC=CC(N)Sc1ccc(O)cc1
InChIInChI=1S/C9H11NOS/c1-2-9(10)12-8-5-3-7(11)4-6-8/h2-6,9,11H,1,10H2
InChIKeyMEVZGJHLSWJVPY-UHFFFAOYSA-N
MW181.26 g/mol
LogP1.96
Rot. Bonds3

About 4-(1-aminoprop-2-enylsulfanyl)phenol

4-(1-aminoprop-2-enylsulfanyl)phenol (PubChem CID 70479911) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is 4-(1-aminoprop-2-enylsulfanyl)phenol.

Molecular Properties

Compound Name4-(1-aminoprop-2-enylsulfanyl)phenol
PubChem CID70479911
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC Name4-(1-aminoprop-2-enylsulfanyl)phenol
SMILESC=CC(N)Sc1ccc(O)cc1
InChIInChI=1S/C9H11NOS/c1-2-9(10)12-8-5-3-7(11)4-6-8/h2-6,9,11H,1,10H2
InChIKeyMEVZGJHLSWJVPY-UHFFFAOYSA-N
XLogP1.96
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoprop-2-enylsulfanyl)phenol?
The IUPAC name of 4-(1-aminoprop-2-enylsulfanyl)phenol (CID 70479911) is 4-(1-aminoprop-2-enylsulfanyl)phenol.
What is the SMILES notation for 4-(1-aminoprop-2-enylsulfanyl)phenol?
The canonical SMILES for 4-(1-aminoprop-2-enylsulfanyl)phenol is C=CC(N)Sc1ccc(O)cc1.
What is the InChIKey of 4-(1-aminoprop-2-enylsulfanyl)phenol?
The InChIKey is MEVZGJHLSWJVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NOS/c1-2-9(10)12-8-5-3-7(11)4-6-8/h2-6,9,11H,1,10H2.
What are the key properties of 4-(1-aminoprop-2-enylsulfanyl)phenol?
4-(1-aminoprop-2-enylsulfanyl)phenol has a molecular weight of 181.26 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoprop-2-enylsulfanyl)phenol is sourced from PubChem (CID 70479911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).