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

C8H12ClNOS2 — CID 18997685

IUPAC5-amino-2,4-bis(methylsulfanyl)phenol;hydrochloride
SMILESCSc1cc(SC)c(O)cc1N.Cl
InChIInChI=1S/C8H11NOS2.ClH/c1-11-7-4-8(12-2)6(10)3-5(7)9;/h3-4,10H,9H2,1-2H3;1H
InChIKeyZZVIZFWZHKPLKW-UHFFFAOYSA-N
MW237.78 g/mol
LogP2.84
Rot. Bonds2

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

5-amino-2,4-bis(methylsulfanyl)phenol;hydrochloride (PubChem CID 18997685) has the molecular formula C8H12ClNOS2 and a molecular weight of 237.78 g/mol. Its IUPAC name is 5-amino-2,4-bis(methylsulfanyl)phenol;hydrochloride.

Molecular Properties

Compound Name5-amino-2,4-bis(methylsulfanyl)phenol;hydrochloride
PubChem CID18997685
Molecular FormulaC8H12ClNOS2
Molecular Weight237.78 g/mol
Exact Mass237.00
IUPAC Name5-amino-2,4-bis(methylsulfanyl)phenol;hydrochloride
SMILESCSc1cc(SC)c(O)cc1N.Cl
InChIInChI=1S/C8H11NOS2.ClH/c1-11-7-4-8(12-2)6(10)3-5(7)9;/h3-4,10H,9H2,1-2H3;1H
InChIKeyZZVIZFWZHKPLKW-UHFFFAOYSA-N
XLogP2.84
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.78
LogP ≤ 52.84
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;hydrochloride?
The IUPAC name of 5-amino-2,4-bis(methylsulfanyl)phenol;hydrochloride (CID 18997685) is 5-amino-2,4-bis(methylsulfanyl)phenol;hydrochloride.
What is the SMILES notation for 5-amino-2,4-bis(methylsulfanyl)phenol;hydrochloride?
The canonical SMILES for 5-amino-2,4-bis(methylsulfanyl)phenol;hydrochloride is CSc1cc(SC)c(O)cc1N.Cl.
What is the InChIKey of 5-amino-2,4-bis(methylsulfanyl)phenol;hydrochloride?
The InChIKey is ZZVIZFWZHKPLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS2.ClH/c1-11-7-4-8(12-2)6(10)3-5(7)9;/h3-4,10H,9H2,1-2H3;1H.
What are the key properties of 5-amino-2,4-bis(methylsulfanyl)phenol;hydrochloride?
5-amino-2,4-bis(methylsulfanyl)phenol;hydrochloride has a molecular weight of 237.78 g/mol, XLogP of 2.84, 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;hydrochloride is sourced from PubChem (CID 18997685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).