4-amino-3-methylsulfanylphenol

C7H9NOS — CID 19048349

IUPAC4-amino-3-methylsulfanylphenol
SMILESCSc1cc(O)ccc1N
InChIInChI=1S/C7H9NOS/c1-10-7-4-5(9)2-3-6(7)8/h2-4,9H,8H2,1H3
InChIKeyURNPJAGSKRJTAK-UHFFFAOYSA-N
MW155.22 g/mol
LogP1.70
Rot. Bonds1

About 4-amino-3-methylsulfanylphenol

4-amino-3-methylsulfanylphenol (PubChem CID 19048349) has the molecular formula C7H9NOS and a molecular weight of 155.22 g/mol. Its IUPAC name is 4-amino-3-methylsulfanylphenol.

Molecular Properties

Compound Name4-amino-3-methylsulfanylphenol
PubChem CID19048349
Molecular FormulaC7H9NOS
Molecular Weight155.22 g/mol
Exact Mass155.04
IUPAC Name4-amino-3-methylsulfanylphenol
SMILESCSc1cc(O)ccc1N
InChIInChI=1S/C7H9NOS/c1-10-7-4-5(9)2-3-6(7)8/h2-4,9H,8H2,1H3
InChIKeyURNPJAGSKRJTAK-UHFFFAOYSA-N
XLogP1.70
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Rubroflavin
CID 135449289
2-Amino-5-(methylthio)phenol
CID 5148146
4-Amino-3-(pentafluoro-lambda6-sulfanyl)phenol
CID 132595966
2-Methylsulfinyl-4-hydroxy-6-methylthiophenyl-1-azoformamide
CID 139583463
4-Methoxy-2-(methylthio)aniline
CID 11147966
2-Amino-5-hydroxybenzene-1-sulfonic acid
CID 22450199
2,6-Difluoro-4-(methylideneamino)-3-methylsulfanylphenol
CID 123535189
3-Fluoro-4-(methylsulfanylamino)phenol
CID 145609640
4-(Trifluoromethoxy)-2-(trimethyl-lambda4-sulfanyl)aniline
CID 156149117
2-Amino-3-(trifluoromethylsulfanyl)phenol
CID 172853887
3-(Methylthio)-4-nitrophenol
CID 44185702
N-(4-hydroxy-2-methylsulfanylphenyl)acetamide
CID 70563417

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methylsulfanylphenol?
The IUPAC name of 4-amino-3-methylsulfanylphenol (CID 19048349) is 4-amino-3-methylsulfanylphenol.
What is the SMILES notation for 4-amino-3-methylsulfanylphenol?
The canonical SMILES for 4-amino-3-methylsulfanylphenol is CSc1cc(O)ccc1N.
What is the InChIKey of 4-amino-3-methylsulfanylphenol?
The InChIKey is URNPJAGSKRJTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NOS/c1-10-7-4-5(9)2-3-6(7)8/h2-4,9H,8H2,1H3.
What are the key properties of 4-amino-3-methylsulfanylphenol?
4-amino-3-methylsulfanylphenol has a molecular weight of 155.22 g/mol, XLogP of 1.70, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methylsulfanylphenol is sourced from PubChem (CID 19048349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).