1-thiophen-2-ylpropane-1,2,3-triol

C7H10O3S — CID 59769549

IUPAC1-thiophen-2-ylpropane-1,2,3-triol
SMILESOCC(O)C(O)c1cccs1
InChIInChI=1S/C7H10O3S/c8-4-5(9)7(10)6-2-1-3-11-6/h1-3,5,7-10H,4H2
InChIKeyXBZUWLXXDYOLEP-UHFFFAOYSA-N
MW174.22 g/mol
LogP0.13
Rot. Bonds3

About 1-thiophen-2-ylpropane-1,2,3-triol

1-thiophen-2-ylpropane-1,2,3-triol (PubChem CID 59769549) has the molecular formula C7H10O3S and a molecular weight of 174.22 g/mol. Its IUPAC name is 1-thiophen-2-ylpropane-1,2,3-triol.

Molecular Properties

Compound Name1-thiophen-2-ylpropane-1,2,3-triol
PubChem CID59769549
Molecular FormulaC7H10O3S
Molecular Weight174.22 g/mol
Exact Mass174.04
IUPAC Name1-thiophen-2-ylpropane-1,2,3-triol
SMILESOCC(O)C(O)c1cccs1
InChIInChI=1S/C7H10O3S/c8-4-5(9)7(10)6-2-1-3-11-6/h1-3,5,7-10H,4H2
InChIKeyXBZUWLXXDYOLEP-UHFFFAOYSA-N
XLogP0.13
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-thiophen-2-ylpropane-1,2,3-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-dithiophen-2-ylethane-1,2-diol
CID 11128014
N-(2,3-dihydroxy-3-thiophen-2-ylpropyl)acetamide
CID 170829439
(1R,2R)-3-methyl-1-thiophen-2-ylbutane-1,2-diol
CID 138661529
2-bromo-1-thiophen-2-ylpropan-1-ol
CID 116863277
3-ethyl-1-thiophen-2-ylpentane-1,2-diol
CID 103459851
3-sulfanyl-2-thiophen-2-ylpropan-1-ol
CID 117240751
3,3-dimethyl-1-thiophen-2-ylbutane-1,2-diol
CID 103457313
2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propane-1,3-diol
CID 65314705
2-ethoxy-1-thiophen-2-ylpropan-1-ol
CID 64541559
2-hydroxy-2-thiophen-2-ylacetic acid;propane-1,2,3-triol
CID 126740844
3-[benzyl(methyl)amino]-3-thiophen-2-ylpropane-1,2-diol
CID 20656181
2-cyclopropyl-2-thiophen-2-ylethanol
CID 64989110

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-ylpropane-1,2,3-triol?
The IUPAC name of 1-thiophen-2-ylpropane-1,2,3-triol (CID 59769549) is 1-thiophen-2-ylpropane-1,2,3-triol.
What is the SMILES notation for 1-thiophen-2-ylpropane-1,2,3-triol?
The canonical SMILES for 1-thiophen-2-ylpropane-1,2,3-triol is OCC(O)C(O)c1cccs1.
What is the InChIKey of 1-thiophen-2-ylpropane-1,2,3-triol?
The InChIKey is XBZUWLXXDYOLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3S/c8-4-5(9)7(10)6-2-1-3-11-6/h1-3,5,7-10H,4H2.
What are the key properties of 1-thiophen-2-ylpropane-1,2,3-triol?
1-thiophen-2-ylpropane-1,2,3-triol has a molecular weight of 174.22 g/mol, XLogP of 0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-ylpropane-1,2,3-triol is sourced from PubChem (CID 59769549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).