3-(1-hydroxy-2-sulfanylethoxy)phenol

C8H10O3S — CID 163871657

IUPAC3-(1-hydroxy-2-sulfanylethoxy)phenol
SMILESOc1cccc(OC(O)CS)c1
InChIInChI=1S/C8H10O3S/c9-6-2-1-3-7(4-6)11-8(10)5-12/h1-4,8-10,12H,5H2
InChIKeyPLILAEHCMAYOHB-UHFFFAOYSA-N
MW186.23 g/mol
LogP1.02
Rot. Bonds3

About 3-(1-hydroxy-2-sulfanylethoxy)phenol

3-(1-hydroxy-2-sulfanylethoxy)phenol (PubChem CID 163871657) has the molecular formula C8H10O3S and a molecular weight of 186.23 g/mol. Its IUPAC name is 3-(1-hydroxy-2-sulfanylethoxy)phenol.

Molecular Properties

Compound Name3-(1-hydroxy-2-sulfanylethoxy)phenol
PubChem CID163871657
Molecular FormulaC8H10O3S
Molecular Weight186.23 g/mol
Exact Mass186.04
IUPAC Name3-(1-hydroxy-2-sulfanylethoxy)phenol
SMILESOc1cccc(OC(O)CS)c1
InChIInChI=1S/C8H10O3S/c9-6-2-1-3-7(4-6)11-8(10)5-12/h1-4,8-10,12H,5H2
InChIKeyPLILAEHCMAYOHB-UHFFFAOYSA-N
XLogP1.02
TPSA49.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 3-(1-hydroxy-2-sulfanylethoxy)phenol 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

3-(3-hydroxybutan-2-yloxy)phenol
CID 77394204
benzene-1,3-diol;3-propan-2-yloxyphenol
CID 159090607
bis(3-hydroxyphenyl) 2,3-dihydroxybutanedioate
CID 66768995
3-(1-fluorobutoxy)phenol
CID 174949464
3-but-3-en-2-yloxyphenol
CID 62384342
3-(2-hydroxypropoxy)phenol;2-methylpropane
CID 144531306
3-(1,1,1-trifluoropropan-2-yloxy)phenol
CID 117095393
ethane;3-methoxyphenol
CID 142018283
3-phenylperoxyphenol
CID 87446766
5-(3-hydroxyphenyl)peroxybenzene-1,3-diol
CID 139520139
sodium 3-methoxyphenol
CID 19079440
3-[2-(3-bromophenoxy)ethoxy]phenol
CID 39445112

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxy-2-sulfanylethoxy)phenol?
The IUPAC name of 3-(1-hydroxy-2-sulfanylethoxy)phenol (CID 163871657) is 3-(1-hydroxy-2-sulfanylethoxy)phenol.
What is the SMILES notation for 3-(1-hydroxy-2-sulfanylethoxy)phenol?
The canonical SMILES for 3-(1-hydroxy-2-sulfanylethoxy)phenol is Oc1cccc(OC(O)CS)c1.
What is the InChIKey of 3-(1-hydroxy-2-sulfanylethoxy)phenol?
The InChIKey is PLILAEHCMAYOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3S/c9-6-2-1-3-7(4-6)11-8(10)5-12/h1-4,8-10,12H,5H2.
What are the key properties of 3-(1-hydroxy-2-sulfanylethoxy)phenol?
3-(1-hydroxy-2-sulfanylethoxy)phenol has a molecular weight of 186.23 g/mol, XLogP of 1.02, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxy-2-sulfanylethoxy)phenol is sourced from PubChem (CID 163871657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).