1-(3-chlorothiophen-2-yl)-2-methylsulfanylethanone

C7H7ClOS2 — CID 80645182

IUPAC1-(3-chlorothiophen-2-yl)-2-methylsulfanylethanone
SMILESCSCC(=O)c1sccc1Cl
InChIInChI=1S/C7H7ClOS2/c1-10-4-6(9)7-5(8)2-3-11-7/h2-3H,4H2,1H3
InChIKeyILZBLTXFGVFBNT-UHFFFAOYSA-N
MW206.72 g/mol
LogP2.95
Rot. Bonds3

About 1-(3-chlorothiophen-2-yl)-2-methylsulfanylethanone

1-(3-chlorothiophen-2-yl)-2-methylsulfanylethanone (PubChem CID 80645182) has the molecular formula C7H7ClOS2 and a molecular weight of 206.72 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-2-methylsulfanylethanone.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-2-methylsulfanylethanone
PubChem CID80645182
Molecular FormulaC7H7ClOS2
Molecular Weight206.72 g/mol
Exact Mass205.96
IUPAC Name1-(3-chlorothiophen-2-yl)-2-methylsulfanylethanone
SMILESCSCC(=O)c1sccc1Cl
InChIInChI=1S/C7H7ClOS2/c1-10-4-6(9)7-5(8)2-3-11-7/h2-3H,4H2,1H3
InChIKeyILZBLTXFGVFBNT-UHFFFAOYSA-N
XLogP2.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.72
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-chlorothiophen-2-yl)-2-oxoethyl] thiocyanate
CID 18526226
2-butan-2-ylsulfanyl-1-(3-chlorothiophen-2-yl)ethanone
CID 107359344
1-(3-chlorothiophen-2-yl)pent-3-yn-1-one
CID 114964884
3-amino-1-(3-chlorothiophen-2-yl)-4-methylpentan-1-one
CID 107361549
1-(3-chlorothiophen-2-yl)-3,4,4-trimethylpentan-1-one
CID 80529884
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-chlorothiophen-2-yl)ethanone
CID 114979149
3-amino-1-(3-chlorothiophen-2-yl)-4,4-dimethylpentan-1-one
CID 107361556
1-(3-chlorothiophen-2-yl)-4-methoxy-3-methylbutan-1-one
CID 107361618
1-(3-chlorothiophen-2-yl)-2-(4-methoxyphenyl)ethanone
CID 80530028
1-(3-chlorothiophen-2-yl)-2-(3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decan-1-yl)ethanone bromide
CID 2767321
1-(3-chlorothiophen-2-yl)-2-(5-chlorothiophen-2-yl)ethanone
CID 114967489
1-(3-chlorothiophen-2-yl)-2-(3,4-dichlorophenyl)ethanone
CID 80529728

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-2-methylsulfanylethanone?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-2-methylsulfanylethanone (CID 80645182) is 1-(3-chlorothiophen-2-yl)-2-methylsulfanylethanone.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-2-methylsulfanylethanone?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-2-methylsulfanylethanone is CSCC(=O)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-2-methylsulfanylethanone?
The InChIKey is ILZBLTXFGVFBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClOS2/c1-10-4-6(9)7-5(8)2-3-11-7/h2-3H,4H2,1H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-2-methylsulfanylethanone?
1-(3-chlorothiophen-2-yl)-2-methylsulfanylethanone has a molecular weight of 206.72 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-2-methylsulfanylethanone is sourced from PubChem (CID 80645182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).