2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide

C7H8ClNOS2 — CID 43236452

IUPAC2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide
SMILESNC(=O)CSCc1ccc(Cl)s1
InChIInChI=1S/C7H8ClNOS2/c8-6-2-1-5(12-6)3-11-4-7(9)10/h1-2H,3-4H2,(H2,9,10)
InChIKeyJKWUCFIUPDOKAR-UHFFFAOYSA-N
MW221.73 g/mol
LogP2.12
Rot. Bonds4

About 2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide

2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide (PubChem CID 43236452) has the molecular formula C7H8ClNOS2 and a molecular weight of 221.73 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide
PubChem CID43236452
Molecular FormulaC7H8ClNOS2
Molecular Weight221.73 g/mol
Exact Mass220.97
IUPAC Name2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide
SMILESNC(=O)CSCc1ccc(Cl)s1
InChIInChI=1S/C7H8ClNOS2/c8-6-2-1-5(12-6)3-11-4-7(9)10/h1-2H,3-4H2,(H2,9,10)
InChIKeyJKWUCFIUPDOKAR-UHFFFAOYSA-N
XLogP2.12
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide (CID 43236452) is 2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide is NC(=O)CSCc1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide?
The InChIKey is JKWUCFIUPDOKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNOS2/c8-6-2-1-5(12-6)3-11-4-7(9)10/h1-2H,3-4H2,(H2,9,10).
What are the key properties of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide?
2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide has a molecular weight of 221.73 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 43236452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).