4-(4-amino-3-methoxyphenyl)sulfanylphenol

C13H13NO2S — CID 91879711

IUPAC4-(4-amino-3-methoxyphenyl)sulfanylphenol
SMILESCOc1cc(Sc2ccc(O)cc2)ccc1N
InChIInChI=1S/C13H13NO2S/c1-16-13-8-11(6-7-12(13)14)17-10-4-2-9(15)3-5-10/h2-8,15H,14H2,1H3
InChIKeyMZNGETKWZNYMNJ-UHFFFAOYSA-N
MW247.32 g/mol
LogP3.13
Rot. Bonds3

About 4-(4-amino-3-methoxyphenyl)sulfanylphenol

4-(4-amino-3-methoxyphenyl)sulfanylphenol (PubChem CID 91879711) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is 4-(4-amino-3-methoxyphenyl)sulfanylphenol.

Molecular Properties

Compound Name4-(4-amino-3-methoxyphenyl)sulfanylphenol
PubChem CID91879711
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Name4-(4-amino-3-methoxyphenyl)sulfanylphenol
SMILESCOc1cc(Sc2ccc(O)cc2)ccc1N
InChIInChI=1S/C13H13NO2S/c1-16-13-8-11(6-7-12(13)14)17-10-4-2-9(15)3-5-10/h2-8,15H,14H2,1H3
InChIKeyMZNGETKWZNYMNJ-UHFFFAOYSA-N
XLogP3.13
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-methoxy-4-nitrophenyl)sulfanylphenol
CID 63675664
4-(4-amino-3-fluorophenyl)sulfanylphenol
CID 91879712
4-[4-methoxy-3-(trifluoromethyl)phenyl]sulfanylphenol
CID 91879718
2-(4-amino-3-methoxyphenyl)sulfanylethanol
CID 63676763
2-amino-5-(4-amino-3-methoxyphenyl)phenol
CID 131862396
4-(4-aminophenyl)sulfanylphenol
CID 22026416
4-(4-aminophenyl)sulfanyl-2-methoxybenzoic acid
CID 91880013
4-(4-iodo-2-methoxyphenyl)sulfanylphenol
CID 91879560
4-(4-methoxyphenyl)sulfanyl-2-methylaniline
CID 43436441
4-(4-hydroxy-3,5-dimethoxyphenyl)sulfanyl-2,6-dimethoxyphenol
CID 14993625
2-ethoxy-4-(3-methoxyphenyl)sulfanylaniline
CID 63675963
3-amino-4-(4-hydroxyphenyl)sulfanylphenol
CID 67040301

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-methoxyphenyl)sulfanylphenol?
The IUPAC name of 4-(4-amino-3-methoxyphenyl)sulfanylphenol (CID 91879711) is 4-(4-amino-3-methoxyphenyl)sulfanylphenol.
What is the SMILES notation for 4-(4-amino-3-methoxyphenyl)sulfanylphenol?
The canonical SMILES for 4-(4-amino-3-methoxyphenyl)sulfanylphenol is COc1cc(Sc2ccc(O)cc2)ccc1N.
What is the InChIKey of 4-(4-amino-3-methoxyphenyl)sulfanylphenol?
The InChIKey is MZNGETKWZNYMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-16-13-8-11(6-7-12(13)14)17-10-4-2-9(15)3-5-10/h2-8,15H,14H2,1H3.
What are the key properties of 4-(4-amino-3-methoxyphenyl)sulfanylphenol?
4-(4-amino-3-methoxyphenyl)sulfanylphenol has a molecular weight of 247.32 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-methoxyphenyl)sulfanylphenol is sourced from PubChem (CID 91879711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).