4-chloro-1-(4-chlorobut-1-enylsulfanyl)but-1-ene

C8H12Cl2S — CID 173069784

IUPAC4-chloro-1-(4-chlorobut-1-enylsulfanyl)but-1-ene
SMILESClCCC=CSC=CCCCl
InChIInChI=1S/C8H12Cl2S/c9-5-1-3-7-11-8-4-2-6-10/h3-4,7-8H,1-2,5-6H2
InChIKeyACDJBSMSAYFEEP-UHFFFAOYSA-N
MW211.16 g/mol
LogP4.00
Rot. Bonds6

About 4-chloro-1-(4-chlorobut-1-enylsulfanyl)but-1-ene

4-chloro-1-(4-chlorobut-1-enylsulfanyl)but-1-ene (PubChem CID 173069784) has the molecular formula C8H12Cl2S and a molecular weight of 211.16 g/mol. Its IUPAC name is 4-chloro-1-(4-chlorobut-1-enylsulfanyl)but-1-ene.

Molecular Properties

Compound Name4-chloro-1-(4-chlorobut-1-enylsulfanyl)but-1-ene
PubChem CID173069784
Molecular FormulaC8H12Cl2S
Molecular Weight211.16 g/mol
Exact Mass210.00
IUPAC Name4-chloro-1-(4-chlorobut-1-enylsulfanyl)but-1-ene
SMILESClCCC=CSC=CCCCl
InChIInChI=1S/C8H12Cl2S/c9-5-1-3-7-11-8-4-2-6-10/h3-4,7-8H,1-2,5-6H2
InChIKeyACDJBSMSAYFEEP-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.16
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(4-chlorobut-1-enylsulfanyl)but-1-ene?
The IUPAC name of 4-chloro-1-(4-chlorobut-1-enylsulfanyl)but-1-ene (CID 173069784) is 4-chloro-1-(4-chlorobut-1-enylsulfanyl)but-1-ene.
What is the SMILES notation for 4-chloro-1-(4-chlorobut-1-enylsulfanyl)but-1-ene?
The canonical SMILES for 4-chloro-1-(4-chlorobut-1-enylsulfanyl)but-1-ene is ClCCC=CSC=CCCCl.
What is the InChIKey of 4-chloro-1-(4-chlorobut-1-enylsulfanyl)but-1-ene?
The InChIKey is ACDJBSMSAYFEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12Cl2S/c9-5-1-3-7-11-8-4-2-6-10/h3-4,7-8H,1-2,5-6H2.
What are the key properties of 4-chloro-1-(4-chlorobut-1-enylsulfanyl)but-1-ene?
4-chloro-1-(4-chlorobut-1-enylsulfanyl)but-1-ene has a molecular weight of 211.16 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(4-chlorobut-1-enylsulfanyl)but-1-ene is sourced from PubChem (CID 173069784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).