trans-(1S,2S)-2-methyl-2-thiophen-2-ylcyclopropane-1-carboxylic acid

C9H10O2S — CID 94252878

IUPACtrans-(1S,2S)-2-methyl-2-thiophen-2-ylcyclopropane-1-carboxylic acid
SMILESC[C@]1(c2cccs2)C[C@@H]1C(=O)O
InChIInChI=1S/C9H10O2S/c1-9(5-6(9)8(10)11)7-3-2-4-12-7/h2-4,6H,5H2,1H3,(H,10,11)/t6-,9+/m1/s1
InChIKeyQTSKEHPHNRHLLL-MUWHJKNJSA-N
MW182.24 g/mol
LogP2.11
Rot. Bonds2

About trans-(1S,2S)-2-methyl-2-thiophen-2-ylcyclopropane-1-carboxylic acid

trans-(1S,2S)-2-methyl-2-thiophen-2-ylcyclopropane-1-carboxylic acid (PubChem CID 94252878) has the molecular formula C9H10O2S and a molecular weight of 182.24 g/mol. Its IUPAC name is trans-(1S,2S)-2-methyl-2-thiophen-2-ylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,2S)-2-methyl-2-thiophen-2-ylcyclopropane-1-carboxylic acid
PubChem CID94252878
Molecular FormulaC9H10O2S
Molecular Weight182.24 g/mol
Exact Mass182.04
IUPAC Nametrans-(1S,2S)-2-methyl-2-thiophen-2-ylcyclopropane-1-carboxylic acid
SMILESC[C@]1(c2cccs2)C[C@@H]1C(=O)O
InChIInChI=1S/C9H10O2S/c1-9(5-6(9)8(10)11)7-3-2-4-12-7/h2-4,6H,5H2,1H3,(H,10,11)/t6-,9+/m1/s1
InChIKeyQTSKEHPHNRHLLL-MUWHJKNJSA-N
XLogP2.11
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 94252591
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2-(2-methyl-2-thiophen-2-yl-1,3-dioxolan-4-yl)acetic acid
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N-[(2-methyl-2-thiophen-2-ylcyclopropyl)methyl]propan-1-amine
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4-hydroxy-1-thiophen-2-ylcyclohexane-1-carboxylic acid
CID 83709599
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CID 66103946
2-[methyl-(1-thiophen-2-ylcyclohexanecarbonyl)amino]acetic acid
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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-methyl-2-thiophen-2-ylcyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1S,2S)-2-methyl-2-thiophen-2-ylcyclopropane-1-carboxylic acid (CID 94252878) is trans-(1S,2S)-2-methyl-2-thiophen-2-ylcyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,2S)-2-methyl-2-thiophen-2-ylcyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1S,2S)-2-methyl-2-thiophen-2-ylcyclopropane-1-carboxylic acid is C[C@]1(c2cccs2)C[C@@H]1C(=O)O.
What is the InChIKey of trans-(1S,2S)-2-methyl-2-thiophen-2-ylcyclopropane-1-carboxylic acid?
The InChIKey is QTSKEHPHNRHLLL-MUWHJKNJSA-N. The full InChI is InChI=1S/C9H10O2S/c1-9(5-6(9)8(10)11)7-3-2-4-12-7/h2-4,6H,5H2,1H3,(H,10,11)/t6-,9+/m1/s1.
What are the key properties of trans-(1S,2S)-2-methyl-2-thiophen-2-ylcyclopropane-1-carboxylic acid?
trans-(1S,2S)-2-methyl-2-thiophen-2-ylcyclopropane-1-carboxylic acid has a molecular weight of 182.24 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-methyl-2-thiophen-2-ylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 94252878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).