(4-sulfanyloxyphenyl)-thiophen-3-ylmethanol

C11H10O2S2 — CID 144923441

IUPAC(4-sulfanyloxyphenyl)-thiophen-3-ylmethanol
SMILESOC(c1ccc(OS)cc1)c1ccsc1
InChIInChI=1S/C11H10O2S2/c12-11(9-5-6-15-7-9)8-1-3-10(13-14)4-2-8/h1-7,11-12,14H
InChIKeyLEEHRXJLTVWBJI-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.05
Rot. Bonds3

About (4-sulfanyloxyphenyl)-thiophen-3-ylmethanol

(4-sulfanyloxyphenyl)-thiophen-3-ylmethanol (PubChem CID 144923441) has the molecular formula C11H10O2S2 and a molecular weight of 238.33 g/mol. Its IUPAC name is (4-sulfanyloxyphenyl)-thiophen-3-ylmethanol.

Molecular Properties

Compound Name(4-sulfanyloxyphenyl)-thiophen-3-ylmethanol
PubChem CID144923441
Molecular FormulaC11H10O2S2
Molecular Weight238.33 g/mol
Exact Mass238.01
IUPAC Name(4-sulfanyloxyphenyl)-thiophen-3-ylmethanol
SMILESOC(c1ccc(OS)cc1)c1ccsc1
InChIInChI=1S/C11H10O2S2/c12-11(9-5-6-15-7-9)8-1-3-10(13-14)4-2-8/h1-7,11-12,14H
InChIKeyLEEHRXJLTVWBJI-UHFFFAOYSA-N
XLogP3.05
TPSA29.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

thiophen-3-yl-(4-trimethylsilylphenyl)methanol
CID 166444858
(R)-(4-cyclopropylphenyl)-thiophen-3-ylmethanol
CID 124512337
(3-methoxy-4-methylphenyl)-thiophen-3-ylmethanol
CID 115805659
(3,4-difluorophenyl)-thiophen-3-ylmethanol
CID 61087371
(4-fluoro-3,5-dimethylphenyl)-thiophen-3-ylmethanol
CID 65296943
(6-methyl-3-pyridinyl)-thiophen-3-ylmethanol
CID 63155454
(R)-(2-methoxyphenyl)-thiophen-3-ylmethanol
CID 93312294
(R)-(3-chloro-4-fluorophenyl)-thiophen-3-ylmethanol
CID 96932942
(R)-(4-methoxy-3,5-dimethylphenyl)-thiophen-3-ylmethanol
CID 97293171
(S)-(4-methoxy-3,5-dimethylphenyl)-thiophen-3-ylmethanol
CID 97293168
(3-fluoro-4-methylphenyl)-thiophen-3-ylmethanol
CID 65099500
(2-fluoro-4-methoxyphenyl)-thiophen-3-ylmethanol
CID 61082292

Frequently Asked Questions

What is the IUPAC name of (4-sulfanyloxyphenyl)-thiophen-3-ylmethanol?
The IUPAC name of (4-sulfanyloxyphenyl)-thiophen-3-ylmethanol (CID 144923441) is (4-sulfanyloxyphenyl)-thiophen-3-ylmethanol.
What is the SMILES notation for (4-sulfanyloxyphenyl)-thiophen-3-ylmethanol?
The canonical SMILES for (4-sulfanyloxyphenyl)-thiophen-3-ylmethanol is OC(c1ccc(OS)cc1)c1ccsc1.
What is the InChIKey of (4-sulfanyloxyphenyl)-thiophen-3-ylmethanol?
The InChIKey is LEEHRXJLTVWBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2S2/c12-11(9-5-6-15-7-9)8-1-3-10(13-14)4-2-8/h1-7,11-12,14H.
What are the key properties of (4-sulfanyloxyphenyl)-thiophen-3-ylmethanol?
(4-sulfanyloxyphenyl)-thiophen-3-ylmethanol has a molecular weight of 238.33 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-sulfanyloxyphenyl)-thiophen-3-ylmethanol is sourced from PubChem (CID 144923441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).