methyl 2-(5-chlorothiophen-2-yl)sulfanylacetate

C7H7ClO2S2 — CID 117033998

IUPACmethyl 2-(5-chlorothiophen-2-yl)sulfanylacetate
SMILESCOC(=O)CSc1ccc(Cl)s1
InChIInChI=1S/C7H7ClO2S2/c1-10-6(9)4-11-7-3-2-5(8)12-7/h2-3H,4H2,1H3
InChIKeyRETJJFBQZKRFMZ-UHFFFAOYSA-N
MW222.72 g/mol
LogP2.67
Rot. Bonds3

About methyl 2-(5-chlorothiophen-2-yl)sulfanylacetate

methyl 2-(5-chlorothiophen-2-yl)sulfanylacetate (PubChem CID 117033998) has the molecular formula C7H7ClO2S2 and a molecular weight of 222.72 g/mol. Its IUPAC name is methyl 2-(5-chlorothiophen-2-yl)sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-(5-chlorothiophen-2-yl)sulfanylacetate
PubChem CID117033998
Molecular FormulaC7H7ClO2S2
Molecular Weight222.72 g/mol
Exact Mass221.96
IUPAC Namemethyl 2-(5-chlorothiophen-2-yl)sulfanylacetate
SMILESCOC(=O)CSc1ccc(Cl)s1
InChIInChI=1S/C7H7ClO2S2/c1-10-6(9)4-11-7-3-2-5(8)12-7/h2-3H,4H2,1H3
InChIKeyRETJJFBQZKRFMZ-UHFFFAOYSA-N
XLogP2.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-(5-chlorothiophen-2-yl)sulfanylacetate 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 methyl 2-(5-chlorothiophen-2-yl)sulfanylacetate?
The IUPAC name of methyl 2-(5-chlorothiophen-2-yl)sulfanylacetate (CID 117033998) is methyl 2-(5-chlorothiophen-2-yl)sulfanylacetate.
What is the SMILES notation for methyl 2-(5-chlorothiophen-2-yl)sulfanylacetate?
The canonical SMILES for methyl 2-(5-chlorothiophen-2-yl)sulfanylacetate is COC(=O)CSc1ccc(Cl)s1.
What is the InChIKey of methyl 2-(5-chlorothiophen-2-yl)sulfanylacetate?
The InChIKey is RETJJFBQZKRFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClO2S2/c1-10-6(9)4-11-7-3-2-5(8)12-7/h2-3H,4H2,1H3.
What are the key properties of methyl 2-(5-chlorothiophen-2-yl)sulfanylacetate?
methyl 2-(5-chlorothiophen-2-yl)sulfanylacetate has a molecular weight of 222.72 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-chlorothiophen-2-yl)sulfanylacetate is sourced from PubChem (CID 117033998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).