1-chloroethenylsulfinylbenzene

C8H7ClOS — CID 15258242

IUPAC1-chloroethenylsulfinylbenzene
SMILESC=C(Cl)S(=O)c1ccccc1
InChIInChI=1S/C8H7ClOS/c1-7(9)11(10)8-5-3-2-4-6-8/h2-6H,1H2
InChIKeyDVMXYLCPBPOMBH-UHFFFAOYSA-N
MW186.66 g/mol
LogP2.50
Rot. Bonds2

About 1-chloroethenylsulfinylbenzene

1-chloroethenylsulfinylbenzene (PubChem CID 15258242) has the molecular formula C8H7ClOS and a molecular weight of 186.66 g/mol. Its IUPAC name is 1-chloroethenylsulfinylbenzene.

Molecular Properties

Compound Name1-chloroethenylsulfinylbenzene
PubChem CID15258242
Molecular FormulaC8H7ClOS
Molecular Weight186.66 g/mol
Exact Mass185.99
IUPAC Name1-chloroethenylsulfinylbenzene
SMILESC=C(Cl)S(=O)c1ccccc1
InChIInChI=1S/C8H7ClOS/c1-7(9)11(10)8-5-3-2-4-6-8/h2-6H,1H2
InChIKeyDVMXYLCPBPOMBH-UHFFFAOYSA-N
XLogP2.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.66
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloroethenylsulfinylbenzene?
The IUPAC name of 1-chloroethenylsulfinylbenzene (CID 15258242) is 1-chloroethenylsulfinylbenzene.
What is the SMILES notation for 1-chloroethenylsulfinylbenzene?
The canonical SMILES for 1-chloroethenylsulfinylbenzene is C=C(Cl)S(=O)c1ccccc1.
What is the InChIKey of 1-chloroethenylsulfinylbenzene?
The InChIKey is DVMXYLCPBPOMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClOS/c1-7(9)11(10)8-5-3-2-4-6-8/h2-6H,1H2.
What are the key properties of 1-chloroethenylsulfinylbenzene?
1-chloroethenylsulfinylbenzene has a molecular weight of 186.66 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloroethenylsulfinylbenzene is sourced from PubChem (CID 15258242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).