2-(thiophen-2-ylmethylsulfanyl)acetic acid

C7H8O2S2 — CID 2579954

IUPAC2-(thiophen-2-ylmethylsulfanyl)acetic acid
SMILESO=C(O)CSCc1cccs1
InChIInChI=1S/C7H8O2S2/c8-7(9)5-10-4-6-2-1-3-11-6/h1-3H,4-5H2,(H,8,9)
InChIKeyRGJSUUAQUWWHHK-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.07
Rot. Bonds4

About 2-(thiophen-2-ylmethylsulfanyl)acetic acid

2-(thiophen-2-ylmethylsulfanyl)acetic acid (PubChem CID 2579954) has the molecular formula C7H8O2S2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-(thiophen-2-ylmethylsulfanyl)acetic acid.

Molecular Properties

Compound Name2-(thiophen-2-ylmethylsulfanyl)acetic acid
PubChem CID2579954
Molecular FormulaC7H8O2S2
Molecular Weight188.27 g/mol
Exact Mass188.00
IUPAC Name2-(thiophen-2-ylmethylsulfanyl)acetic acid
SMILESO=C(O)CSCc1cccs1
InChIInChI=1S/C7H8O2S2/c8-7(9)5-10-4-6-2-1-3-11-6/h1-3H,4-5H2,(H,8,9)
InChIKeyRGJSUUAQUWWHHK-UHFFFAOYSA-N
XLogP2.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(thiophen-2-ylmethylsulfanyl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(thiophen-2-ylmethylsulfanyl)acetic acid?
The IUPAC name of 2-(thiophen-2-ylmethylsulfanyl)acetic acid (CID 2579954) is 2-(thiophen-2-ylmethylsulfanyl)acetic acid.
What is the SMILES notation for 2-(thiophen-2-ylmethylsulfanyl)acetic acid?
The canonical SMILES for 2-(thiophen-2-ylmethylsulfanyl)acetic acid is O=C(O)CSCc1cccs1.
What is the InChIKey of 2-(thiophen-2-ylmethylsulfanyl)acetic acid?
The InChIKey is RGJSUUAQUWWHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2S2/c8-7(9)5-10-4-6-2-1-3-11-6/h1-3H,4-5H2,(H,8,9).
What are the key properties of 2-(thiophen-2-ylmethylsulfanyl)acetic acid?
2-(thiophen-2-ylmethylsulfanyl)acetic acid has a molecular weight of 188.27 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-2-ylmethylsulfanyl)acetic acid is sourced from PubChem (CID 2579954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).