propan-2-yl 2-(hydroxymethyl)thieno[2,3-b]thiophene-5-carboxylate

C11H12O3S2 — CID 133060995

IUPACpropan-2-yl 2-(hydroxymethyl)thieno[2,3-b]thiophene-5-carboxylate
SMILESCC(C)OC(=O)c1cc2cc(CO)sc2s1
InChIInChI=1S/C11H12O3S2/c1-6(2)14-10(13)9-4-7-3-8(5-12)15-11(7)16-9/h3-4,6,12H,5H2,1-2H3
InChIKeyIRPUSOGMOUINEM-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.02
Rot. Bonds3

About propan-2-yl 2-(hydroxymethyl)thieno[2,3-b]thiophene-5-carboxylate

propan-2-yl 2-(hydroxymethyl)thieno[2,3-b]thiophene-5-carboxylate (PubChem CID 133060995) has the molecular formula C11H12O3S2 and a molecular weight of 256.35 g/mol. Its IUPAC name is propan-2-yl 2-(hydroxymethyl)thieno[2,3-b]thiophene-5-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-(hydroxymethyl)thieno[2,3-b]thiophene-5-carboxylate
PubChem CID133060995
Molecular FormulaC11H12O3S2
Molecular Weight256.35 g/mol
Exact Mass256.02
IUPAC Namepropan-2-yl 2-(hydroxymethyl)thieno[2,3-b]thiophene-5-carboxylate
SMILESCC(C)OC(=O)c1cc2cc(CO)sc2s1
InChIInChI=1S/C11H12O3S2/c1-6(2)14-10(13)9-4-7-3-8(5-12)15-11(7)16-9/h3-4,6,12H,5H2,1-2H3
InChIKeyIRPUSOGMOUINEM-UHFFFAOYSA-N
XLogP3.02
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl 2-carbamoylthieno[2,3-b]thiophene-5-carboxylate
CID 133059840
diethyl thieno[2,3-b]thiophene-2,5-dicarboxylate
CID 11033401
[4-(4-propanoyloxycyclohexyl)cyclohexyl] 2-propylthieno[2,3-b]thiophene-5-carboxylate
CID 70431634
ethyl 5-bromothieno[2,3-b]thiophene-2-carboxylate
CID 133055284
tert-butyl 2-carbamoylthieno[2,3-b]thiophene-5-carboxylate
CID 133062598
2-(hydroxymethyl)thieno[2,3-b]thiophene-5-carbonitrile
CID 133062892
3-propan-2-yloxycarbonylthieno[2,3-b]thiophene-5-carboxylic acid
CID 133060983
propan-2-yl 4-(hydroxymethyl)benzoate
CID 78907782
methyl 5-sulfamoylthieno[2,3-b]thiophene-2-carboxylate
CID 14700202
tert-butyl 2-formylthieno[2,3-b]thiophene-5-carboxylate
CID 133063764
propan-2-yl 5-(1-amino-4,4-dimethylpentyl)thiophene-2-carboxylate
CID 71202646
propan-2-yl 5-ethyl-1,3-thiazole-2-carboxylate
CID 91226851

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(hydroxymethyl)thieno[2,3-b]thiophene-5-carboxylate?
The IUPAC name of propan-2-yl 2-(hydroxymethyl)thieno[2,3-b]thiophene-5-carboxylate (CID 133060995) is propan-2-yl 2-(hydroxymethyl)thieno[2,3-b]thiophene-5-carboxylate.
What is the SMILES notation for propan-2-yl 2-(hydroxymethyl)thieno[2,3-b]thiophene-5-carboxylate?
The canonical SMILES for propan-2-yl 2-(hydroxymethyl)thieno[2,3-b]thiophene-5-carboxylate is CC(C)OC(=O)c1cc2cc(CO)sc2s1.
What is the InChIKey of propan-2-yl 2-(hydroxymethyl)thieno[2,3-b]thiophene-5-carboxylate?
The InChIKey is IRPUSOGMOUINEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3S2/c1-6(2)14-10(13)9-4-7-3-8(5-12)15-11(7)16-9/h3-4,6,12H,5H2,1-2H3.
What are the key properties of propan-2-yl 2-(hydroxymethyl)thieno[2,3-b]thiophene-5-carboxylate?
propan-2-yl 2-(hydroxymethyl)thieno[2,3-b]thiophene-5-carboxylate has a molecular weight of 256.35 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(hydroxymethyl)thieno[2,3-b]thiophene-5-carboxylate is sourced from PubChem (CID 133060995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).