(3-hydroxy-4-sulfanylphenyl) formate

C7H6O3S — CID 174696612

IUPAC(3-hydroxy-4-sulfanylphenyl) formate
SMILESO=COc1ccc(S)c(O)c1
InChIInChI=1S/C7H6O3S/c8-4-10-5-1-2-7(11)6(9)3-5/h1-4,9,11H
InChIKeyBLQAXZJKAUZYMF-UHFFFAOYSA-N
MW170.19 g/mol
LogP1.22
Rot. Bonds2

About (3-hydroxy-4-sulfanylphenyl) formate

(3-hydroxy-4-sulfanylphenyl) formate (PubChem CID 174696612) has the molecular formula C7H6O3S and a molecular weight of 170.19 g/mol. Its IUPAC name is (3-hydroxy-4-sulfanylphenyl) formate.

Molecular Properties

Compound Name(3-hydroxy-4-sulfanylphenyl) formate
PubChem CID174696612
Molecular FormulaC7H6O3S
Molecular Weight170.19 g/mol
Exact Mass170.00
IUPAC Name(3-hydroxy-4-sulfanylphenyl) formate
SMILESO=COc1ccc(S)c(O)c1
InChIInChI=1S/C7H6O3S/c8-4-10-5-1-2-7(11)6(9)3-5/h1-4,9,11H
InChIKeyBLQAXZJKAUZYMF-UHFFFAOYSA-N
XLogP1.22
TPSA46.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (3-hydroxy-4-sulfanylphenyl) formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Hydroxy-1,3-benzoxathiol-2-one
CID 72139
4-Hydroxy-1,3-(2H)-benzoxathiol-2-one
CID 251103
2,4-Dimethoxybenzenethiol
CID 2758492
2,4,6-Trimethoxybenzenethiol
CID 12723003
5-Propan-2-yloxy-2-sulfanylphenol
CID 10773849
4-Hydroxy-2-methoxybenzenesulfonic acid
CID 14197007
3-Methoxyphenol-6-sulfonic acid
CID 14197008
2-Mercapto-3-methoxyphenol
CID 67276724
(2-Hydroxy-4-propan-2-yloxyphenyl) thiohypofluorite
CID 57300701
5-(2,2,2-Trifluoroethoxy)-2-mercaptophenol
CID 57444205
(2-Fluoro-3-hydroxyphenyl) formate
CID 135253612
2-Sulfanyl-5-(trifluoromethoxy)phenol
CID 149461139

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-4-sulfanylphenyl) formate?
The IUPAC name of (3-hydroxy-4-sulfanylphenyl) formate (CID 174696612) is (3-hydroxy-4-sulfanylphenyl) formate.
What is the SMILES notation for (3-hydroxy-4-sulfanylphenyl) formate?
The canonical SMILES for (3-hydroxy-4-sulfanylphenyl) formate is O=COc1ccc(S)c(O)c1.
What is the InChIKey of (3-hydroxy-4-sulfanylphenyl) formate?
The InChIKey is BLQAXZJKAUZYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3S/c8-4-10-5-1-2-7(11)6(9)3-5/h1-4,9,11H.
What are the key properties of (3-hydroxy-4-sulfanylphenyl) formate?
(3-hydroxy-4-sulfanylphenyl) formate has a molecular weight of 170.19 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-4-sulfanylphenyl) formate is sourced from PubChem (CID 174696612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).