1-chloro-2-(2-chloroethylsulfanyl)ethane;1-chloro-2-ethylsulfanylethane

C8H17Cl3S2 — CID 87220167

IUPAC1-chloro-2-(2-chloroethylsulfanyl)ethane;1-chloro-2-ethylsulfanylethane
SMILESCCSCCCl.ClCCSCCCl
InChIInChI=1S/C4H8Cl2S.C4H9ClS/c5-1-3-7-4-2-6;1-2-6-4-3-5/h1-4H2;2-4H2,1H3
InChIKeyPVLDMLWHWGKCQL-UHFFFAOYSA-N
MW283.72 g/mol
LogP4.18
Rot. Bonds7

About 1-chloro-2-(2-chloroethylsulfanyl)ethane;1-chloro-2-ethylsulfanylethane

1-chloro-2-(2-chloroethylsulfanyl)ethane;1-chloro-2-ethylsulfanylethane (PubChem CID 87220167) has the molecular formula C8H17Cl3S2 and a molecular weight of 283.72 g/mol. Its IUPAC name is 1-chloro-2-(2-chloroethylsulfanyl)ethane;1-chloro-2-ethylsulfanylethane.

Molecular Properties

Compound Name1-chloro-2-(2-chloroethylsulfanyl)ethane;1-chloro-2-ethylsulfanylethane
PubChem CID87220167
Molecular FormulaC8H17Cl3S2
Molecular Weight283.72 g/mol
Exact Mass281.98
IUPAC Name1-chloro-2-(2-chloroethylsulfanyl)ethane;1-chloro-2-ethylsulfanylethane
SMILESCCSCCCl.ClCCSCCCl
InChIInChI=1S/C4H8Cl2S.C4H9ClS/c5-1-3-7-4-2-6;1-2-6-4-3-5/h1-4H2;2-4H2,1H3
InChIKeyPVLDMLWHWGKCQL-UHFFFAOYSA-N
XLogP4.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.72
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(2-chloroethylsulfanyl)ethane;1-chloro-2-ethylsulfanylethane?
The IUPAC name of 1-chloro-2-(2-chloroethylsulfanyl)ethane;1-chloro-2-ethylsulfanylethane (CID 87220167) is 1-chloro-2-(2-chloroethylsulfanyl)ethane;1-chloro-2-ethylsulfanylethane.
What is the SMILES notation for 1-chloro-2-(2-chloroethylsulfanyl)ethane;1-chloro-2-ethylsulfanylethane?
The canonical SMILES for 1-chloro-2-(2-chloroethylsulfanyl)ethane;1-chloro-2-ethylsulfanylethane is CCSCCCl.ClCCSCCCl.
What is the InChIKey of 1-chloro-2-(2-chloroethylsulfanyl)ethane;1-chloro-2-ethylsulfanylethane?
The InChIKey is PVLDMLWHWGKCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8Cl2S.C4H9ClS/c5-1-3-7-4-2-6;1-2-6-4-3-5/h1-4H2;2-4H2,1H3.
What are the key properties of 1-chloro-2-(2-chloroethylsulfanyl)ethane;1-chloro-2-ethylsulfanylethane?
1-chloro-2-(2-chloroethylsulfanyl)ethane;1-chloro-2-ethylsulfanylethane has a molecular weight of 283.72 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(2-chloroethylsulfanyl)ethane;1-chloro-2-ethylsulfanylethane is sourced from PubChem (CID 87220167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).