(1-oxothiophen-2-yl)methanol

C5H6O2S — CID 141078446

IUPAC(1-oxothiophen-2-yl)methanol
SMILESO=S1C=CC=C1CO
InChIInChI=1S/C5H6O2S/c6-4-5-2-1-3-8(5)7/h1-3,6H,4H2
InChIKeyNZKRBTNFYNPQNI-UHFFFAOYSA-N
MW130.17 g/mol
LogP0.14
Rot. Bonds1

About (1-oxothiophen-2-yl)methanol

(1-oxothiophen-2-yl)methanol (PubChem CID 141078446) has the molecular formula C5H6O2S and a molecular weight of 130.17 g/mol. Its IUPAC name is (1-oxothiophen-2-yl)methanol.

Molecular Properties

Compound Name(1-oxothiophen-2-yl)methanol
PubChem CID141078446
Molecular FormulaC5H6O2S
Molecular Weight130.17 g/mol
Exact Mass130.01
IUPAC Name(1-oxothiophen-2-yl)methanol
SMILESO=S1C=CC=C1CO
InChIInChI=1S/C5H6O2S/c6-4-5-2-1-3-8(5)7/h1-3,6H,4H2
InChIKeyNZKRBTNFYNPQNI-UHFFFAOYSA-N
XLogP0.14
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-oxothiophen-2-yl)methanol?
The IUPAC name of (1-oxothiophen-2-yl)methanol (CID 141078446) is (1-oxothiophen-2-yl)methanol.
What is the SMILES notation for (1-oxothiophen-2-yl)methanol?
The canonical SMILES for (1-oxothiophen-2-yl)methanol is O=S1C=CC=C1CO.
What is the InChIKey of (1-oxothiophen-2-yl)methanol?
The InChIKey is NZKRBTNFYNPQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O2S/c6-4-5-2-1-3-8(5)7/h1-3,6H,4H2.
What are the key properties of (1-oxothiophen-2-yl)methanol?
(1-oxothiophen-2-yl)methanol has a molecular weight of 130.17 g/mol, XLogP of 0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxothiophen-2-yl)methanol is sourced from PubChem (CID 141078446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).