dihydroxy-methyl-thiophen-2-yl-λ4-sulfane

C5H8O2S2 — CID 143818318

IUPACdihydroxy-methyl-thiophen-2-yl-λ4-sulfane
SMILESCS(O)(O)c1cccs1
InChIInChI=1S/C5H8O2S2/c1-9(6,7)5-3-2-4-8-5/h2-4,6-7H,1H3
InChIKeyMJKKAQIPHYBMDG-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.49
Rot. Bonds1

About dihydroxy-methyl-thiophen-2-yl-λ4-sulfane

dihydroxy-methyl-thiophen-2-yl-λ4-sulfane (PubChem CID 143818318) has the molecular formula C5H8O2S2 and a molecular weight of 164.25 g/mol. Its IUPAC name is dihydroxy-methyl-thiophen-2-yl-λ4-sulfane.

Molecular Properties

Compound Namedihydroxy-methyl-thiophen-2-yl-λ4-sulfane
PubChem CID143818318
Molecular FormulaC5H8O2S2
Molecular Weight164.25 g/mol
Exact Mass164.00
IUPAC Namedihydroxy-methyl-thiophen-2-yl-λ4-sulfane
SMILESCS(O)(O)c1cccs1
InChIInChI=1S/C5H8O2S2/c1-9(6,7)5-3-2-4-8-5/h2-4,6-7H,1H3
InChIKeyMJKKAQIPHYBMDG-UHFFFAOYSA-N
XLogP2.49
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

dimethyl-sulfanyl-thiophen-2-yl-λ4-sulfane
CID 123636622
sodium thiophene-2-sulfonic acid
CID 54603046
methanol;thiophene-2-sulfonamide
CID 157397427
2-thiophen-2-ylsulfonylsulfonylthiophene
CID 141485126
ethane;thiophene-2-sulfonyl chloride
CID 91564390
methyl thiophene-2-sulfonate
CID 56986285
2-propan-2-ylsulfonylthiophene
CID 22953694
thiophene-2-(18F)sulfonyl fluoride
CID 72736656
N'-hydroxythiophene-2-sulfonohydrazide
CID 67151955
thiophen-2-ol
CID 10909502
3-thiophen-2-ylsulfonylbutan-2-one
CID 64642163
N-methylthiophene-2-sulfonamide;molecular hydrogen
CID 143039868

Frequently Asked Questions

What is the IUPAC name of dihydroxy-methyl-thiophen-2-yl-λ4-sulfane?
The IUPAC name of dihydroxy-methyl-thiophen-2-yl-λ4-sulfane (CID 143818318) is dihydroxy-methyl-thiophen-2-yl-λ4-sulfane.
What is the SMILES notation for dihydroxy-methyl-thiophen-2-yl-λ4-sulfane?
The canonical SMILES for dihydroxy-methyl-thiophen-2-yl-λ4-sulfane is CS(O)(O)c1cccs1.
What is the InChIKey of dihydroxy-methyl-thiophen-2-yl-λ4-sulfane?
The InChIKey is MJKKAQIPHYBMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2S2/c1-9(6,7)5-3-2-4-8-5/h2-4,6-7H,1H3.
What are the key properties of dihydroxy-methyl-thiophen-2-yl-λ4-sulfane?
dihydroxy-methyl-thiophen-2-yl-λ4-sulfane has a molecular weight of 164.25 g/mol, XLogP of 2.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-methyl-thiophen-2-yl-λ4-sulfane is sourced from PubChem (CID 143818318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).