4-aminosulfanylphenol

C6H7NOS — CID 18172255

IUPAC4-aminosulfanylphenol
SMILESNSc1ccc(O)cc1
InChIInChI=1S/C6H7NOS/c7-9-6-3-1-5(8)2-4-6/h1-4,8H,7H2
InChIKeyVFLSPUBCIALRIE-UHFFFAOYSA-N
MW141.19 g/mol
LogP1.36
Rot. Bonds1

About 4-aminosulfanylphenol

4-aminosulfanylphenol (PubChem CID 18172255) has the molecular formula C6H7NOS and a molecular weight of 141.19 g/mol. Its IUPAC name is 4-aminosulfanylphenol.

Molecular Properties

Compound Name4-aminosulfanylphenol
PubChem CID18172255
Molecular FormulaC6H7NOS
Molecular Weight141.19 g/mol
Exact Mass141.02
IUPAC Name4-aminosulfanylphenol
SMILESNSc1ccc(O)cc1
InChIInChI=1S/C6H7NOS/c7-9-6-3-1-5(8)2-4-6/h1-4,8H,7H2
InChIKeyVFLSPUBCIALRIE-UHFFFAOYSA-N
XLogP1.36
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-aminophenyl)sulfanylphenol
CID 22026416
4-aminosulfanylbenzamide
CID 22301586
fluoro 4-aminosulfanylbenzoate
CID 145294745
1-(4-aminosulfanylphenyl)ethanone
CID 129026728
4-[(4-hydroxyphenyl)sulfanylmethylsulfanyl]phenol
CID 14794071
argon;benzene-1,4-diol
CID 71441175
CID 158795306
CID 158795306
benzene-1,4-diol;hydron
CID 137356428
1-(4-aminosulfanylphenyl)ethanone;ethane
CID 142198565
S-(4-hydroxyphenyl) 4-hydroxybenzenecarbothioate
CID 59592619
4-(trisulfanyl)phenol
CID 158371834
sodium;hydride;4-methylsulfanylphenol
CID 174371659

Frequently Asked Questions

What is the IUPAC name of 4-aminosulfanylphenol?
The IUPAC name of 4-aminosulfanylphenol (CID 18172255) is 4-aminosulfanylphenol.
What is the SMILES notation for 4-aminosulfanylphenol?
The canonical SMILES for 4-aminosulfanylphenol is NSc1ccc(O)cc1.
What is the InChIKey of 4-aminosulfanylphenol?
The InChIKey is VFLSPUBCIALRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NOS/c7-9-6-3-1-5(8)2-4-6/h1-4,8H,7H2.
What are the key properties of 4-aminosulfanylphenol?
4-aminosulfanylphenol has a molecular weight of 141.19 g/mol, XLogP of 1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminosulfanylphenol is sourced from PubChem (CID 18172255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).