2-chloroprop-2-enylsulfinylbenzene

C9H9ClOS — CID 10703236

IUPAC2-chloroprop-2-enylsulfinylbenzene
SMILESC=C(Cl)CS(=O)c1ccccc1
InChIInChI=1S/C9H9ClOS/c1-8(10)7-12(11)9-5-3-2-4-6-9/h2-6H,1,7H2
InChIKeyVXTPULUCYAYTNF-UHFFFAOYSA-N
MW200.69 g/mol
LogP2.55
Rot. Bonds3

About 2-chloroprop-2-enylsulfinylbenzene

2-chloroprop-2-enylsulfinylbenzene (PubChem CID 10703236) has the molecular formula C9H9ClOS and a molecular weight of 200.69 g/mol. Its IUPAC name is 2-chloroprop-2-enylsulfinylbenzene.

Molecular Properties

Compound Name2-chloroprop-2-enylsulfinylbenzene
PubChem CID10703236
Molecular FormulaC9H9ClOS
Molecular Weight200.69 g/mol
Exact Mass200.01
IUPAC Name2-chloroprop-2-enylsulfinylbenzene
SMILESC=C(Cl)CS(=O)c1ccccc1
InChIInChI=1S/C9H9ClOS/c1-8(10)7-12(11)9-5-3-2-4-6-9/h2-6H,1,7H2
InChIKeyVXTPULUCYAYTNF-UHFFFAOYSA-N
XLogP2.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.69
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloroprop-2-enylsulfinylbenzene?
The IUPAC name of 2-chloroprop-2-enylsulfinylbenzene (CID 10703236) is 2-chloroprop-2-enylsulfinylbenzene.
What is the SMILES notation for 2-chloroprop-2-enylsulfinylbenzene?
The canonical SMILES for 2-chloroprop-2-enylsulfinylbenzene is C=C(Cl)CS(=O)c1ccccc1.
What is the InChIKey of 2-chloroprop-2-enylsulfinylbenzene?
The InChIKey is VXTPULUCYAYTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClOS/c1-8(10)7-12(11)9-5-3-2-4-6-9/h2-6H,1,7H2.
What are the key properties of 2-chloroprop-2-enylsulfinylbenzene?
2-chloroprop-2-enylsulfinylbenzene has a molecular weight of 200.69 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroprop-2-enylsulfinylbenzene is sourced from PubChem (CID 10703236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).