3-(2,5-diaminophenyl)sulfanylphenol

C12H12N2OS — CID 118873663

IUPAC3-(2,5-diaminophenyl)sulfanylphenol
SMILESNc1ccc(N)c(Sc2cccc(O)c2)c1
InChIInChI=1S/C12H12N2OS/c13-8-4-5-11(14)12(6-8)16-10-3-1-2-9(15)7-10/h1-7,15H,13-14H2
InChIKeyYQGVOSJCKYQSRX-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.71
Rot. Bonds2

About 3-(2,5-diaminophenyl)sulfanylphenol

3-(2,5-diaminophenyl)sulfanylphenol (PubChem CID 118873663) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 3-(2,5-diaminophenyl)sulfanylphenol.

Molecular Properties

Compound Name3-(2,5-diaminophenyl)sulfanylphenol
PubChem CID118873663
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name3-(2,5-diaminophenyl)sulfanylphenol
SMILESNc1ccc(N)c(Sc2cccc(O)c2)c1
InChIInChI=1S/C12H12N2OS/c13-8-4-5-11(14)12(6-8)16-10-3-1-2-9(15)7-10/h1-7,15H,13-14H2
InChIKeyYQGVOSJCKYQSRX-UHFFFAOYSA-N
XLogP2.71
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.71
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

4-chloro-3-(2,5-diaminophenyl)sulfanylphenol
CID 118867611
3-naphthalen-1-ylsulfanylphenol
CID 126704011
4-(4-aminophenyl)-2-phenylsulfanylaniline
CID 68786659
4-phenyl-3-phenylsulfanylaniline
CID 68787885
3-aminophenol;molecular nitrogen
CID 174840874
3-aminophenol;4-aminophenol;benzene-1,3-diamine;benzene-1,4-diamine
CID 174818324
3-(4-methylphenyl)sulfanylphenol
CID 20780501
3-aminophenol;benzene-1,3-diol;ethane
CID 142022536
3-(2-bromo-4-nitrophenyl)sulfanylphenol
CID 104590962
3-fluoro-4-(3-hydroxyphenyl)sulfanylbenzonitrile
CID 104590977
benzene-1,2-diamine;benzene-1,3-diol
CID 67778876
N'-[4-(3-hydroxyphenyl)sulfanyl-2,5-dimethylphenyl]methanimidamide
CID 123441258

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-diaminophenyl)sulfanylphenol?
The IUPAC name of 3-(2,5-diaminophenyl)sulfanylphenol (CID 118873663) is 3-(2,5-diaminophenyl)sulfanylphenol.
What is the SMILES notation for 3-(2,5-diaminophenyl)sulfanylphenol?
The canonical SMILES for 3-(2,5-diaminophenyl)sulfanylphenol is Nc1ccc(N)c(Sc2cccc(O)c2)c1.
What is the InChIKey of 3-(2,5-diaminophenyl)sulfanylphenol?
The InChIKey is YQGVOSJCKYQSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c13-8-4-5-11(14)12(6-8)16-10-3-1-2-9(15)7-10/h1-7,15H,13-14H2.
What are the key properties of 3-(2,5-diaminophenyl)sulfanylphenol?
3-(2,5-diaminophenyl)sulfanylphenol has a molecular weight of 232.31 g/mol, XLogP of 2.71, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-diaminophenyl)sulfanylphenol is sourced from PubChem (CID 118873663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).