3-chloro-1-(3-chloroprop-1-enyldisulfanyl)prop-1-ene

C6H8Cl2S2 — CID 169452236

IUPAC3-chloro-1-(3-chloroprop-1-enyldisulfanyl)prop-1-ene
SMILESClCC=CSSC=CCCl
InChIInChI=1S/C6H8Cl2S2/c7-3-1-5-9-10-6-2-4-8/h1-2,5-6H,3-4H2
InChIKeyPYTGDOXSLITZGB-UHFFFAOYSA-N
MW215.17 g/mol
LogP3.87
Rot. Bonds5

About 3-chloro-1-(3-chloroprop-1-enyldisulfanyl)prop-1-ene

3-chloro-1-(3-chloroprop-1-enyldisulfanyl)prop-1-ene (PubChem CID 169452236) has the molecular formula C6H8Cl2S2 and a molecular weight of 215.17 g/mol. Its IUPAC name is 3-chloro-1-(3-chloroprop-1-enyldisulfanyl)prop-1-ene.

Molecular Properties

Compound Name3-chloro-1-(3-chloroprop-1-enyldisulfanyl)prop-1-ene
PubChem CID169452236
Molecular FormulaC6H8Cl2S2
Molecular Weight215.17 g/mol
Exact Mass213.94
IUPAC Name3-chloro-1-(3-chloroprop-1-enyldisulfanyl)prop-1-ene
SMILESClCC=CSSC=CCCl
InChIInChI=1S/C6H8Cl2S2/c7-3-1-5-9-10-6-2-4-8/h1-2,5-6H,3-4H2
InChIKeyPYTGDOXSLITZGB-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 53.87
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'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(3-chloroprop-1-enyldisulfanyl)prop-1-ene?
The IUPAC name of 3-chloro-1-(3-chloroprop-1-enyldisulfanyl)prop-1-ene (CID 169452236) is 3-chloro-1-(3-chloroprop-1-enyldisulfanyl)prop-1-ene.
What is the SMILES notation for 3-chloro-1-(3-chloroprop-1-enyldisulfanyl)prop-1-ene?
The canonical SMILES for 3-chloro-1-(3-chloroprop-1-enyldisulfanyl)prop-1-ene is ClCC=CSSC=CCCl.
What is the InChIKey of 3-chloro-1-(3-chloroprop-1-enyldisulfanyl)prop-1-ene?
The InChIKey is PYTGDOXSLITZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Cl2S2/c7-3-1-5-9-10-6-2-4-8/h1-2,5-6H,3-4H2.
What are the key properties of 3-chloro-1-(3-chloroprop-1-enyldisulfanyl)prop-1-ene?
3-chloro-1-(3-chloroprop-1-enyldisulfanyl)prop-1-ene has a molecular weight of 215.17 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(3-chloroprop-1-enyldisulfanyl)prop-1-ene is sourced from PubChem (CID 169452236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).