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Trans-(1R,2R)-2-thiophen-3-ylcyclopropane-1-carboxylic acid

C8H8O2S — CID 15141058

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACtrans-(1R,2R)-2-thiophen-3-ylcyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1c1ccsc1
InChIInChI=1S/C8H8O2S/c9-8(10)7-3-6(7)5-1-2-11-4-5/h1-2,4,6-7H,3H2,(H,9,10)/t6-,7+/m0/s1
InChIKeyZZCJDGURVYEFFD-NKWVEPMBSA-N
MW168.22 g/mol
LogP1.94
Rot. Bonds2

About Trans-(1R,2R)-2-thiophen-3-ylcyclopropane-1-carboxylic acid

Trans-(1R,2R)-2-thiophen-3-ylcyclopropane-1-carboxylic acid (PubChem CID 15141058) has the molecular formula C8H8O2S and a molecular weight of 168.22 g/mol. Its IUPAC name is trans-(1R,2R)-2-thiophen-3-ylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound NameTrans-(1R,2R)-2-thiophen-3-ylcyclopropane-1-carboxylic acid
PubChem CID15141058
Molecular FormulaC8H8O2S
Molecular Weight168.22 g/mol
Exact Mass168.02
IUPAC Nametrans-(1R,2R)-2-thiophen-3-ylcyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1c1ccsc1
InChIInChI=1S/C8H8O2S/c9-8(10)7-3-6(7)5-1-2-11-4-5/h1-2,4,6-7H,3H2,(H,9,10)/t6-,7+/m0/s1
InChIKeyZZCJDGURVYEFFD-NKWVEPMBSA-N
XLogP1.94
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of Trans-(1R,2R)-2-thiophen-3-ylcyclopropane-1-carboxylic acid?
The IUPAC name of Trans-(1R,2R)-2-thiophen-3-ylcyclopropane-1-carboxylic acid (CID 15141058) is trans-(1R,2R)-2-thiophen-3-ylcyclopropane-1-carboxylic acid.
What is the SMILES notation for Trans-(1R,2R)-2-thiophen-3-ylcyclopropane-1-carboxylic acid?
The canonical SMILES for Trans-(1R,2R)-2-thiophen-3-ylcyclopropane-1-carboxylic acid is O=C(O)[C@@H]1C[C@H]1c1ccsc1.
What is the InChIKey of Trans-(1R,2R)-2-thiophen-3-ylcyclopropane-1-carboxylic acid?
The InChIKey is ZZCJDGURVYEFFD-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H8O2S/c9-8(10)7-3-6(7)5-1-2-11-4-5/h1-2,4,6-7H,3H2,(H,9,10)/t6-,7+/m0/s1.
What are the key properties of Trans-(1R,2R)-2-thiophen-3-ylcyclopropane-1-carboxylic acid?
Trans-(1R,2R)-2-thiophen-3-ylcyclopropane-1-carboxylic acid has a molecular weight of 168.22 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Trans-(1R,2R)-2-thiophen-3-ylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 15141058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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