1-(5-chlorothiophen-2-yl)sulfanylcyclopropane-1-carboxylic acid

C8H7ClO2S2 — CID 117032221

IUPAC1-(5-chlorothiophen-2-yl)sulfanylcyclopropane-1-carboxylic acid
SMILESO=C(O)C1(Sc2ccc(Cl)s2)CC1
InChIInChI=1S/C8H7ClO2S2/c9-5-1-2-6(12-5)13-8(3-4-8)7(10)11/h1-2H,3-4H2,(H,10,11)
InChIKeyWFLRFBVFKYMQJQ-UHFFFAOYSA-N
MW234.73 g/mol
LogP3.11
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)sulfanylcyclopropane-1-carboxylic acid

1-(5-chlorothiophen-2-yl)sulfanylcyclopropane-1-carboxylic acid (PubChem CID 117032221) has the molecular formula C8H7ClO2S2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfanylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)sulfanylcyclopropane-1-carboxylic acid
PubChem CID117032221
Molecular FormulaC8H7ClO2S2
Molecular Weight234.73 g/mol
Exact Mass233.96
IUPAC Name1-(5-chlorothiophen-2-yl)sulfanylcyclopropane-1-carboxylic acid
SMILESO=C(O)C1(Sc2ccc(Cl)s2)CC1
InChIInChI=1S/C8H7ClO2S2/c9-5-1-2-6(12-5)13-8(3-4-8)7(10)11/h1-2H,3-4H2,(H,10,11)
InChIKeyWFLRFBVFKYMQJQ-UHFFFAOYSA-N
XLogP3.11
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfanylcyclopropane-1-carboxylic acid?
The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfanylcyclopropane-1-carboxylic acid (CID 117032221) is 1-(5-chlorothiophen-2-yl)sulfanylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfanylcyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfanylcyclopropane-1-carboxylic acid is O=C(O)C1(Sc2ccc(Cl)s2)CC1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfanylcyclopropane-1-carboxylic acid?
The InChIKey is WFLRFBVFKYMQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClO2S2/c9-5-1-2-6(12-5)13-8(3-4-8)7(10)11/h1-2H,3-4H2,(H,10,11).
What are the key properties of 1-(5-chlorothiophen-2-yl)sulfanylcyclopropane-1-carboxylic acid?
1-(5-chlorothiophen-2-yl)sulfanylcyclopropane-1-carboxylic acid has a molecular weight of 234.73 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)sulfanylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 117032221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).