1-chloro-2-ethenylbenzene;sulfuryl dichloride

C8H7Cl3O2S — CID 157063398

IUPAC1-chloro-2-ethenylbenzene;sulfuryl dichloride
SMILESC=Cc1ccccc1Cl.O=S(=O)(Cl)Cl
InChIInChI=1S/C8H7Cl.Cl2O2S/c1-2-7-5-3-4-6-8(7)9;1-5(2,3)4/h2-6H,1H2;
InChIKeyABOYZFUHBGPMPK-UHFFFAOYSA-N
MW273.57 g/mol
LogP3.69
Rot. Bonds1

About 1-chloro-2-ethenylbenzene;sulfuryl dichloride

1-chloro-2-ethenylbenzene;sulfuryl dichloride (PubChem CID 157063398) has the molecular formula C8H7Cl3O2S and a molecular weight of 273.57 g/mol. Its IUPAC name is 1-chloro-2-ethenylbenzene;sulfuryl dichloride.

Molecular Properties

Compound Name1-chloro-2-ethenylbenzene;sulfuryl dichloride
PubChem CID157063398
Molecular FormulaC8H7Cl3O2S
Molecular Weight273.57 g/mol
Exact Mass271.92
IUPAC Name1-chloro-2-ethenylbenzene;sulfuryl dichloride
SMILESC=Cc1ccccc1Cl.O=S(=O)(Cl)Cl
InChIInChI=1S/C8H7Cl.Cl2O2S/c1-2-7-5-3-4-6-8(7)9;1-5(2,3)4/h2-6H,1H2;
InChIKeyABOYZFUHBGPMPK-UHFFFAOYSA-N
XLogP3.69
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.57
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-ethenylbenzene;sulfuryl dichloride?
The IUPAC name of 1-chloro-2-ethenylbenzene;sulfuryl dichloride (CID 157063398) is 1-chloro-2-ethenylbenzene;sulfuryl dichloride.
What is the SMILES notation for 1-chloro-2-ethenylbenzene;sulfuryl dichloride?
The canonical SMILES for 1-chloro-2-ethenylbenzene;sulfuryl dichloride is C=Cc1ccccc1Cl.O=S(=O)(Cl)Cl.
What is the InChIKey of 1-chloro-2-ethenylbenzene;sulfuryl dichloride?
The InChIKey is ABOYZFUHBGPMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl.Cl2O2S/c1-2-7-5-3-4-6-8(7)9;1-5(2,3)4/h2-6H,1H2;.
What are the key properties of 1-chloro-2-ethenylbenzene;sulfuryl dichloride?
1-chloro-2-ethenylbenzene;sulfuryl dichloride has a molecular weight of 273.57 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-ethenylbenzene;sulfuryl dichloride is sourced from PubChem (CID 157063398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).