5-amino-2,4-bis(methylsulfanyl)phenol

C8H11NOS2 — CID 18997686

IUPAC5-amino-2,4-bis(methylsulfanyl)phenol
SMILESCSc1cc(SC)c(O)cc1N
InChIInChI=1S/C8H11NOS2/c1-11-7-4-8(12-2)6(10)3-5(7)9/h3-4,10H,9H2,1-2H3
InChIKeyMRJDSYUUNGKVDS-UHFFFAOYSA-N
MW201.32 g/mol
LogP2.42
Rot. Bonds2

About 5-amino-2,4-bis(methylsulfanyl)phenol

5-amino-2,4-bis(methylsulfanyl)phenol (PubChem CID 18997686) has the molecular formula C8H11NOS2 and a molecular weight of 201.32 g/mol. Its IUPAC name is 5-amino-2,4-bis(methylsulfanyl)phenol.

Molecular Properties

Compound Name5-amino-2,4-bis(methylsulfanyl)phenol
PubChem CID18997686
Molecular FormulaC8H11NOS2
Molecular Weight201.32 g/mol
Exact Mass201.03
IUPAC Name5-amino-2,4-bis(methylsulfanyl)phenol
SMILESCSc1cc(SC)c(O)cc1N
InChIInChI=1S/C8H11NOS2/c1-11-7-4-8(12-2)6(10)3-5(7)9/h3-4,10H,9H2,1-2H3
InChIKeyMRJDSYUUNGKVDS-UHFFFAOYSA-N
XLogP2.42
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.32
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-bis(methylsulfanyl)phenol?
The IUPAC name of 5-amino-2,4-bis(methylsulfanyl)phenol (CID 18997686) is 5-amino-2,4-bis(methylsulfanyl)phenol.
What is the SMILES notation for 5-amino-2,4-bis(methylsulfanyl)phenol?
The canonical SMILES for 5-amino-2,4-bis(methylsulfanyl)phenol is CSc1cc(SC)c(O)cc1N.
What is the InChIKey of 5-amino-2,4-bis(methylsulfanyl)phenol?
The InChIKey is MRJDSYUUNGKVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS2/c1-11-7-4-8(12-2)6(10)3-5(7)9/h3-4,10H,9H2,1-2H3.
What are the key properties of 5-amino-2,4-bis(methylsulfanyl)phenol?
5-amino-2,4-bis(methylsulfanyl)phenol has a molecular weight of 201.32 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-bis(methylsulfanyl)phenol is sourced from PubChem (CID 18997686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).