1-(2-methylthiophen-3-yl)propane-1,2,3-triol

C8H12O3S — CID 170817278

IUPAC1-(2-methylthiophen-3-yl)propane-1,2,3-triol
SMILESCc1sccc1C(O)C(O)CO
InChIInChI=1S/C8H12O3S/c1-5-6(2-3-12-5)8(11)7(10)4-9/h2-3,7-11H,4H2,1H3
InChIKeyUTYQLOSAZCWXJI-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.44
Rot. Bonds3

About 1-(2-methylthiophen-3-yl)propane-1,2,3-triol

1-(2-methylthiophen-3-yl)propane-1,2,3-triol (PubChem CID 170817278) has the molecular formula C8H12O3S and a molecular weight of 188.25 g/mol. Its IUPAC name is 1-(2-methylthiophen-3-yl)propane-1,2,3-triol.

Molecular Properties

Compound Name1-(2-methylthiophen-3-yl)propane-1,2,3-triol
PubChem CID170817278
Molecular FormulaC8H12O3S
Molecular Weight188.25 g/mol
Exact Mass188.05
IUPAC Name1-(2-methylthiophen-3-yl)propane-1,2,3-triol
SMILESCc1sccc1C(O)C(O)CO
InChIInChI=1S/C8H12O3S/c1-5-6(2-3-12-5)8(11)7(10)4-9/h2-3,7-11H,4H2,1H3
InChIKeyUTYQLOSAZCWXJI-UHFFFAOYSA-N
XLogP0.44
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2,2-dimethyl-1-(2-methylthiophen-3-yl)propan-1-ol
CID 130581546
(2,5-dimethylfuran-3-yl)-(2-methylthiophen-3-yl)methanol
CID 102842552
1-(2-methylthiophen-3-yl)-2-propan-2-yloxyethanol
CID 102842375
1-thiophen-2-ylpropane-1,2,3-triol
CID 59769549
2-(2-methyl-1,3-thiazol-4-yl)-1-(2-methylthiophen-3-yl)ethanol
CID 102831271
4-methoxy-1-(2-methylthiophen-3-yl)butan-1-ol
CID 102831325
(1R)-1-(2-methylthiophen-3-yl)ethanamine
CID 46839608
3-(4-methylphenyl)-1-(2-methylthiophen-3-yl)propan-1-ol
CID 102842310
2-cyclohexyl-1-(2-methylthiophen-3-yl)ethanol
CID 102829334
(3-chloro-2-methylphenyl)-(2-methylthiophen-3-yl)methanol
CID 107103539
(2-methylthiophen-3-yl)-thiophen-3-ylmethanol
CID 102829147
2-(2-methylthiophen-3-yl)butanoic acid
CID 102837236

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylthiophen-3-yl)propane-1,2,3-triol?
The IUPAC name of 1-(2-methylthiophen-3-yl)propane-1,2,3-triol (CID 170817278) is 1-(2-methylthiophen-3-yl)propane-1,2,3-triol.
What is the SMILES notation for 1-(2-methylthiophen-3-yl)propane-1,2,3-triol?
The canonical SMILES for 1-(2-methylthiophen-3-yl)propane-1,2,3-triol is Cc1sccc1C(O)C(O)CO.
What is the InChIKey of 1-(2-methylthiophen-3-yl)propane-1,2,3-triol?
The InChIKey is UTYQLOSAZCWXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3S/c1-5-6(2-3-12-5)8(11)7(10)4-9/h2-3,7-11H,4H2,1H3.
What are the key properties of 1-(2-methylthiophen-3-yl)propane-1,2,3-triol?
1-(2-methylthiophen-3-yl)propane-1,2,3-triol has a molecular weight of 188.25 g/mol, XLogP of 0.44, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylthiophen-3-yl)propane-1,2,3-triol is sourced from PubChem (CID 170817278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).