1,2-dithiophen-2-ylethane-1,2-diol

C10H10O2S2 — CID 11128014

IUPAC1,2-dithiophen-2-ylethane-1,2-diol
SMILESOC(c1cccs1)C(O)c1cccs1
InChIInChI=1S/C10H10O2S2/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6,9-12H
InChIKeyQYXXNGCUBZQKHM-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.58
Rot. Bonds3

About 1,2-dithiophen-2-ylethane-1,2-diol

1,2-dithiophen-2-ylethane-1,2-diol (PubChem CID 11128014) has the molecular formula C10H10O2S2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1,2-dithiophen-2-ylethane-1,2-diol.

Molecular Properties

Compound Name1,2-dithiophen-2-ylethane-1,2-diol
PubChem CID11128014
Molecular FormulaC10H10O2S2
Molecular Weight226.32 g/mol
Exact Mass226.01
IUPAC Name1,2-dithiophen-2-ylethane-1,2-diol
SMILESOC(c1cccs1)C(O)c1cccs1
InChIInChI=1S/C10H10O2S2/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6,9-12H
InChIKeyQYXXNGCUBZQKHM-UHFFFAOYSA-N
XLogP2.58
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,2R)-3-methyl-1-thiophen-2-ylbutane-1,2-diol
CID 138661529
2-bromo-1-thiophen-2-ylpropan-1-ol
CID 116863277
1-thiophen-2-ylpropane-1,2,3-triol
CID 59769549
3,3-dimethyl-1-thiophen-2-ylbutane-1,2-diol
CID 103457313
(1R,2S)-2-methyl-1-thiophen-2-ylbut-3-en-1-ol
CID 11651207
(2S,3S)-2-amino-3-hydroxy-3-thiophen-2-ylpropanoic acid
CID 6994519
3-ethyl-1-thiophen-2-ylpentane-1,2-diol
CID 103459851
2-methylsulfonyl-1-thiophen-2-ylpropan-1-ol
CID 104521074
(2R,3S)-2-azaniumyl-3-hydroxy-3-thiophen-2-ylpropanoate
CID 6994522
3-methyl-1-thiophen-2-ylbut-2-en-1-ol
CID 79190233
[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]-thiophen-2-ylmethanol
CID 11197598
2-ethoxy-1-thiophen-2-ylpropan-1-ol
CID 64541559

Frequently Asked Questions

What is the IUPAC name of 1,2-dithiophen-2-ylethane-1,2-diol?
The IUPAC name of 1,2-dithiophen-2-ylethane-1,2-diol (CID 11128014) is 1,2-dithiophen-2-ylethane-1,2-diol.
What is the SMILES notation for 1,2-dithiophen-2-ylethane-1,2-diol?
The canonical SMILES for 1,2-dithiophen-2-ylethane-1,2-diol is OC(c1cccs1)C(O)c1cccs1.
What is the InChIKey of 1,2-dithiophen-2-ylethane-1,2-diol?
The InChIKey is QYXXNGCUBZQKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2S2/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6,9-12H.
What are the key properties of 1,2-dithiophen-2-ylethane-1,2-diol?
1,2-dithiophen-2-ylethane-1,2-diol has a molecular weight of 226.32 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dithiophen-2-ylethane-1,2-diol is sourced from PubChem (CID 11128014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).