3-amino-4-(4-hydroxyphenyl)sulfanylphenol

C12H11NO2S — CID 67040301

IUPAC3-amino-4-(4-hydroxyphenyl)sulfanylphenol
SMILESNc1cc(O)ccc1Sc1ccc(O)cc1
InChIInChI=1S/C12H11NO2S/c13-11-7-9(15)3-6-12(11)16-10-4-1-8(14)2-5-10/h1-7,14-15H,13H2
InChIKeyLPKWXNZAMCRMBZ-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.83
Rot. Bonds2

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

3-amino-4-(4-hydroxyphenyl)sulfanylphenol (PubChem CID 67040301) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is 3-amino-4-(4-hydroxyphenyl)sulfanylphenol.

Molecular Properties

Compound Name3-amino-4-(4-hydroxyphenyl)sulfanylphenol
PubChem CID67040301
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name3-amino-4-(4-hydroxyphenyl)sulfanylphenol
SMILESNc1cc(O)ccc1Sc1ccc(O)cc1
InChIInChI=1S/C12H11NO2S/c13-11-7-9(15)3-6-12(11)16-10-4-1-8(14)2-5-10/h1-7,14-15H,13H2
InChIKeyLPKWXNZAMCRMBZ-UHFFFAOYSA-N
XLogP2.83
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-(4-iodophenyl)sulfanylphenol
CID 91879548
methyl 4-(2-amino-4-hydroxyphenyl)sulfanylbenzoate
CID 91879833
4-(4-amino-2-fluorophenyl)sulfanylphenol
CID 91879702
4-(4-amino-2-chlorophenyl)sulfanylphenol
CID 91879703
4-[2-amino-4-[(2,5-difluorophenyl)methoxy]phenyl]sulfanylphenol
CID 66808566
4-acetamido-N-[3-amino-4-(4-hydroxyphenyl)sulfanylphenyl]benzamide
CID 67040240
4-(4-aminophenyl)sulfanylphenol
CID 22026416
4-(2,4-difluorophenyl)sulfanylphenol
CID 177164297
4-[2-amino-4-[(3-fluorophenyl)methoxy]phenyl]sulfanylphenol
CID 66808677
2-[2-(4-aminophenyl)sulfanyl-5-hydroxyphenyl]acetic acid
CID 91879688
4-(4-hydroxyphenyl)sulfanyl-3-nitrophenol
CID 67040361
3-bromo-4-(4-bromophenyl)sulfanylphenol
CID 91877631

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4-hydroxyphenyl)sulfanylphenol?
The IUPAC name of 3-amino-4-(4-hydroxyphenyl)sulfanylphenol (CID 67040301) is 3-amino-4-(4-hydroxyphenyl)sulfanylphenol.
What is the SMILES notation for 3-amino-4-(4-hydroxyphenyl)sulfanylphenol?
The canonical SMILES for 3-amino-4-(4-hydroxyphenyl)sulfanylphenol is Nc1cc(O)ccc1Sc1ccc(O)cc1.
What is the InChIKey of 3-amino-4-(4-hydroxyphenyl)sulfanylphenol?
The InChIKey is LPKWXNZAMCRMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c13-11-7-9(15)3-6-12(11)16-10-4-1-8(14)2-5-10/h1-7,14-15H,13H2.
What are the key properties of 3-amino-4-(4-hydroxyphenyl)sulfanylphenol?
3-amino-4-(4-hydroxyphenyl)sulfanylphenol has a molecular weight of 233.29 g/mol, XLogP of 2.83, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(4-hydroxyphenyl)sulfanylphenol is sourced from PubChem (CID 67040301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).