2-(2-chlorothiophen-3-yl)acetic acid

C6H5ClO2S — CID 10749798

IUPAC2-(2-chlorothiophen-3-yl)acetic acid
SMILESO=C(O)Cc1ccsc1Cl
InChIInChI=1S/C6H5ClO2S/c7-6-4(1-2-10-6)3-5(8)9/h1-2H,3H2,(H,8,9)
InChIKeySMQRDDFVUOXNKL-UHFFFAOYSA-N
MW176.62 g/mol
LogP2.03
Rot. Bonds2

About 2-(2-chlorothiophen-3-yl)acetic acid

2-(2-chlorothiophen-3-yl)acetic acid (PubChem CID 10749798) has the molecular formula C6H5ClO2S and a molecular weight of 176.62 g/mol. Its IUPAC name is 2-(2-chlorothiophen-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2-chlorothiophen-3-yl)acetic acid
PubChem CID10749798
Molecular FormulaC6H5ClO2S
Molecular Weight176.62 g/mol
Exact Mass175.97
IUPAC Name2-(2-chlorothiophen-3-yl)acetic acid
SMILESO=C(O)Cc1ccsc1Cl
InChIInChI=1S/C6H5ClO2S/c7-6-4(1-2-10-6)3-5(8)9/h1-2H,3H2,(H,8,9)
InChIKeySMQRDDFVUOXNKL-UHFFFAOYSA-N
XLogP2.03
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.62
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorothiophen-3-yl)acetic acid?
The IUPAC name of 2-(2-chlorothiophen-3-yl)acetic acid (CID 10749798) is 2-(2-chlorothiophen-3-yl)acetic acid.
What is the SMILES notation for 2-(2-chlorothiophen-3-yl)acetic acid?
The canonical SMILES for 2-(2-chlorothiophen-3-yl)acetic acid is O=C(O)Cc1ccsc1Cl.
What is the InChIKey of 2-(2-chlorothiophen-3-yl)acetic acid?
The InChIKey is SMQRDDFVUOXNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClO2S/c7-6-4(1-2-10-6)3-5(8)9/h1-2H,3H2,(H,8,9).
What are the key properties of 2-(2-chlorothiophen-3-yl)acetic acid?
2-(2-chlorothiophen-3-yl)acetic acid has a molecular weight of 176.62 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorothiophen-3-yl)acetic acid is sourced from PubChem (CID 10749798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).