2-[2-chloro-2-(2-chloro-2-oxoethyl)sulfanylethyl]sulfanylacetyl chloride

C6H7Cl3O2S2 — CID 54359566

IUPAC2-[2-chloro-2-(2-chloro-2-oxoethyl)sulfanylethyl]sulfanylacetyl chloride
SMILESO=C(Cl)CSCC(Cl)SCC(=O)Cl
InChIInChI=1S/C6H7Cl3O2S2/c7-4(10)1-12-3-6(9)13-2-5(8)11/h6H,1-3H2
InChIKeyULNVQUUUVXDYBW-UHFFFAOYSA-N
MW281.61 g/mol
LogP2.55
Rot. Bonds7

About 2-[2-chloro-2-(2-chloro-2-oxoethyl)sulfanylethyl]sulfanylacetyl chloride

2-[2-chloro-2-(2-chloro-2-oxoethyl)sulfanylethyl]sulfanylacetyl chloride (PubChem CID 54359566) has the molecular formula C6H7Cl3O2S2 and a molecular weight of 281.61 g/mol. Its IUPAC name is 2-[2-chloro-2-(2-chloro-2-oxoethyl)sulfanylethyl]sulfanylacetyl chloride.

Molecular Properties

Compound Name2-[2-chloro-2-(2-chloro-2-oxoethyl)sulfanylethyl]sulfanylacetyl chloride
PubChem CID54359566
Molecular FormulaC6H7Cl3O2S2
Molecular Weight281.61 g/mol
Exact Mass279.90
IUPAC Name2-[2-chloro-2-(2-chloro-2-oxoethyl)sulfanylethyl]sulfanylacetyl chloride
SMILESO=C(Cl)CSCC(Cl)SCC(=O)Cl
InChIInChI=1S/C6H7Cl3O2S2/c7-4(10)1-12-3-6(9)13-2-5(8)11/h6H,1-3H2
InChIKeyULNVQUUUVXDYBW-UHFFFAOYSA-N
XLogP2.55
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.61
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-2-(2-chloro-2-oxoethyl)sulfanylethyl]sulfanylacetyl chloride?
The IUPAC name of 2-[2-chloro-2-(2-chloro-2-oxoethyl)sulfanylethyl]sulfanylacetyl chloride (CID 54359566) is 2-[2-chloro-2-(2-chloro-2-oxoethyl)sulfanylethyl]sulfanylacetyl chloride.
What is the SMILES notation for 2-[2-chloro-2-(2-chloro-2-oxoethyl)sulfanylethyl]sulfanylacetyl chloride?
The canonical SMILES for 2-[2-chloro-2-(2-chloro-2-oxoethyl)sulfanylethyl]sulfanylacetyl chloride is O=C(Cl)CSCC(Cl)SCC(=O)Cl.
What is the InChIKey of 2-[2-chloro-2-(2-chloro-2-oxoethyl)sulfanylethyl]sulfanylacetyl chloride?
The InChIKey is ULNVQUUUVXDYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Cl3O2S2/c7-4(10)1-12-3-6(9)13-2-5(8)11/h6H,1-3H2.
What are the key properties of 2-[2-chloro-2-(2-chloro-2-oxoethyl)sulfanylethyl]sulfanylacetyl chloride?
2-[2-chloro-2-(2-chloro-2-oxoethyl)sulfanylethyl]sulfanylacetyl chloride has a molecular weight of 281.61 g/mol, XLogP of 2.55, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-2-(2-chloro-2-oxoethyl)sulfanylethyl]sulfanylacetyl chloride is sourced from PubChem (CID 54359566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).