3-amino-4-methylsulfanylphenol;hydrochloride

C7H10ClNOS — CID 19963963

IUPAC3-amino-4-methylsulfanylphenol;hydrochloride
SMILESCSc1ccc(O)cc1N.Cl
InChIInChI=1S/C7H9NOS.ClH/c1-10-7-3-2-5(9)4-6(7)8;/h2-4,9H,8H2,1H3;1H
InChIKeyFLLVOAJELUWTDW-UHFFFAOYSA-N
MW191.68 g/mol
LogP2.12
Rot. Bonds1

About 3-amino-4-methylsulfanylphenol;hydrochloride

3-amino-4-methylsulfanylphenol;hydrochloride (PubChem CID 19963963) has the molecular formula C7H10ClNOS and a molecular weight of 191.68 g/mol. Its IUPAC name is 3-amino-4-methylsulfanylphenol;hydrochloride.

Molecular Properties

Compound Name3-amino-4-methylsulfanylphenol;hydrochloride
PubChem CID19963963
Molecular FormulaC7H10ClNOS
Molecular Weight191.68 g/mol
Exact Mass191.02
IUPAC Name3-amino-4-methylsulfanylphenol;hydrochloride
SMILESCSc1ccc(O)cc1N.Cl
InChIInChI=1S/C7H9NOS.ClH/c1-10-7-3-2-5(9)4-6(7)8;/h2-4,9H,8H2,1H3;1H
InChIKeyFLLVOAJELUWTDW-UHFFFAOYSA-N
XLogP2.12
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.68
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methylsulfanylphenol;hydrochloride?
The IUPAC name of 3-amino-4-methylsulfanylphenol;hydrochloride (CID 19963963) is 3-amino-4-methylsulfanylphenol;hydrochloride.
What is the SMILES notation for 3-amino-4-methylsulfanylphenol;hydrochloride?
The canonical SMILES for 3-amino-4-methylsulfanylphenol;hydrochloride is CSc1ccc(O)cc1N.Cl.
What is the InChIKey of 3-amino-4-methylsulfanylphenol;hydrochloride?
The InChIKey is FLLVOAJELUWTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NOS.ClH/c1-10-7-3-2-5(9)4-6(7)8;/h2-4,9H,8H2,1H3;1H.
What are the key properties of 3-amino-4-methylsulfanylphenol;hydrochloride?
3-amino-4-methylsulfanylphenol;hydrochloride has a molecular weight of 191.68 g/mol, XLogP of 2.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methylsulfanylphenol;hydrochloride is sourced from PubChem (CID 19963963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).