2-hydroxy-2-thiophen-2-ylacetic acid;propane-1,2,3-triol

C9H14O6S — CID 126740844

IUPAC2-hydroxy-2-thiophen-2-ylacetic acid;propane-1,2,3-triol
SMILESO=C(O)C(O)c1cccs1.OCC(O)CO
InChIInChI=1S/C6H6O3S.C3H8O3/c7-5(6(8)9)4-2-1-3-10-4;4-1-3(6)2-5/h1-3,5,7H,(H,8,9);3-6H,1-2H2
InChIKeyUNHYTFUXWUZSHY-UHFFFAOYSA-N
MW250.27 g/mol
LogP-0.80
Rot. Bonds4

About 2-hydroxy-2-thiophen-2-ylacetic acid;propane-1,2,3-triol

2-hydroxy-2-thiophen-2-ylacetic acid;propane-1,2,3-triol (PubChem CID 126740844) has the molecular formula C9H14O6S and a molecular weight of 250.27 g/mol. Its IUPAC name is 2-hydroxy-2-thiophen-2-ylacetic acid;propane-1,2,3-triol.

Molecular Properties

Compound Name2-hydroxy-2-thiophen-2-ylacetic acid;propane-1,2,3-triol
PubChem CID126740844
Molecular FormulaC9H14O6S
Molecular Weight250.27 g/mol
Exact Mass250.05
IUPAC Name2-hydroxy-2-thiophen-2-ylacetic acid;propane-1,2,3-triol
SMILESO=C(O)C(O)c1cccs1.OCC(O)CO
InChIInChI=1S/C6H6O3S.C3H8O3/c7-5(6(8)9)4-2-1-3-10-4;4-1-3(6)2-5/h1-3,5,7H,(H,8,9);3-6H,1-2H2
InChIKeyUNHYTFUXWUZSHY-UHFFFAOYSA-N
XLogP-0.80
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 5-0.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

1-hydroxy-1-thiophen-2-ylpropan-2-one
CID 15048018
(2R)-2-hydroxy-1,2-dithiophen-2-ylethanone
CID 725360
(2S)-2-hydroxy-2-phenylacetic acid;(1S)-3-(methylamino)-1-thiophen-2-ylpropan-1-ol
CID 11515325
1-thiophen-2-ylpropane-1,2,3-triol
CID 59769549
(2S,3S)-2-amino-3-hydroxy-3-thiophen-2-ylpropanoic acid
CID 6994519
3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propane-1,2-diol
CID 66175713
2-amino-2-thiophen-2-ylacetic acid;hydrochloride
CID 69120250
2-nitroso-2-thiophen-2-ylacetic acid
CID 54218516
3-(1-thiophen-2-ylethylamino)propane-1,2-diol
CID 60908559
2-thiophen-2-ylbutanoic acid;hydrochloride
CID 141021688
(2R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-thiophen-2-ylacetic acid
CID 11044071
2-amino-N-(1,3-dihydroxypropan-2-yl)-2-thiophen-2-ylacetamide
CID 115287404

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-thiophen-2-ylacetic acid;propane-1,2,3-triol?
The IUPAC name of 2-hydroxy-2-thiophen-2-ylacetic acid;propane-1,2,3-triol (CID 126740844) is 2-hydroxy-2-thiophen-2-ylacetic acid;propane-1,2,3-triol.
What is the SMILES notation for 2-hydroxy-2-thiophen-2-ylacetic acid;propane-1,2,3-triol?
The canonical SMILES for 2-hydroxy-2-thiophen-2-ylacetic acid;propane-1,2,3-triol is O=C(O)C(O)c1cccs1.OCC(O)CO.
What is the InChIKey of 2-hydroxy-2-thiophen-2-ylacetic acid;propane-1,2,3-triol?
The InChIKey is UNHYTFUXWUZSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O3S.C3H8O3/c7-5(6(8)9)4-2-1-3-10-4;4-1-3(6)2-5/h1-3,5,7H,(H,8,9);3-6H,1-2H2.
What are the key properties of 2-hydroxy-2-thiophen-2-ylacetic acid;propane-1,2,3-triol?
2-hydroxy-2-thiophen-2-ylacetic acid;propane-1,2,3-triol has a molecular weight of 250.27 g/mol, XLogP of -0.80, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-thiophen-2-ylacetic acid;propane-1,2,3-triol is sourced from PubChem (CID 126740844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).