3-(2-hydroxyphenyl)sulfanyl-4-nitrophenol

C12H9NO4S — CID 10659193

IUPAC3-(2-hydroxyphenyl)sulfanyl-4-nitrophenol
SMILESO=[N+]([O-])c1ccc(O)cc1Sc1ccccc1O
InChIInChI=1S/C12H9NO4S/c14-8-5-6-9(13(16)17)12(7-8)18-11-4-2-1-3-10(11)15/h1-7,14-15H
InChIKeyDPMSHVANTVDBAL-UHFFFAOYSA-N
MW263.27 g/mol
LogP3.16
Rot. Bonds3

About 3-(2-hydroxyphenyl)sulfanyl-4-nitrophenol

3-(2-hydroxyphenyl)sulfanyl-4-nitrophenol (PubChem CID 10659193) has the molecular formula C12H9NO4S and a molecular weight of 263.27 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)sulfanyl-4-nitrophenol.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)sulfanyl-4-nitrophenol
PubChem CID10659193
Molecular FormulaC12H9NO4S
Molecular Weight263.27 g/mol
Exact Mass263.03
IUPAC Name3-(2-hydroxyphenyl)sulfanyl-4-nitrophenol
SMILESO=[N+]([O-])c1ccc(O)cc1Sc1ccccc1O
InChIInChI=1S/C12H9NO4S/c14-8-5-6-9(13(16)17)12(7-8)18-11-4-2-1-3-10(11)15/h1-7,14-15H
InChIKeyDPMSHVANTVDBAL-UHFFFAOYSA-N
XLogP3.16
TPSA83.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(5-fluoro-2-nitrophenyl)sulfanylphenol
CID 62375935
2-(5-bromo-2-nitrophenyl)sulfanylphenol
CID 65343073
2-(4,5-dimethoxy-2-nitrophenyl)sulfanylphenol
CID 83004088
2-(4-methyl-2-nitrophenyl)sulfanylphenol
CID 62027442
2-(4-iodo-2-nitrophenyl)sulfanylphenol
CID 66082508
2-(4-methylsulfonyl-2-nitrophenyl)sulfanylphenol
CID 62028778
4-(2-hydroxyphenyl)sulfanyl-3-nitrobenzamide
CID 62026502
6-(2-hydroxyphenyl)sulfanyl-5-nitro-1,3-dihydroindol-2-one
CID 62026119
4-(2-nitrophenyl)sulfanylnaphthalen-1-ol
CID 23239241
2-[(5-fluoro-2-nitrophenyl)methylsulfanyl]phenol
CID 62028196
2-[(5-bromo-3-nitro-2-pyridinyl)sulfanyl]phenol
CID 62026506
2-[(5-chloro-2-nitrophenyl)methylsulfanyl]phenol
CID 79494947

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)sulfanyl-4-nitrophenol?
The IUPAC name of 3-(2-hydroxyphenyl)sulfanyl-4-nitrophenol (CID 10659193) is 3-(2-hydroxyphenyl)sulfanyl-4-nitrophenol.
What is the SMILES notation for 3-(2-hydroxyphenyl)sulfanyl-4-nitrophenol?
The canonical SMILES for 3-(2-hydroxyphenyl)sulfanyl-4-nitrophenol is O=[N+]([O-])c1ccc(O)cc1Sc1ccccc1O.
What is the InChIKey of 3-(2-hydroxyphenyl)sulfanyl-4-nitrophenol?
The InChIKey is DPMSHVANTVDBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO4S/c14-8-5-6-9(13(16)17)12(7-8)18-11-4-2-1-3-10(11)15/h1-7,14-15H.
What are the key properties of 3-(2-hydroxyphenyl)sulfanyl-4-nitrophenol?
3-(2-hydroxyphenyl)sulfanyl-4-nitrophenol has a molecular weight of 263.27 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)sulfanyl-4-nitrophenol is sourced from PubChem (CID 10659193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).