ethenyl 2-phenylethenesulfonate;styrene

C18H18O3S — CID 174440573

IUPACethenyl 2-phenylethenesulfonate;styrene
SMILESC=COS(=O)(=O)C=Cc1ccccc1.C=Cc1ccccc1
InChIInChI=1S/C10H10O3S.C8H8/c1-2-13-14(11,12)9-8-10-6-4-3-5-7-10;1-2-8-6-4-3-5-7-8/h2-9H,1H2;2-7H,1H2
InChIKeyRCSBZBDTIBDZHL-UHFFFAOYSA-N
MW314.41 g/mol
LogP4.48
Rot. Bonds5

About ethenyl 2-phenylethenesulfonate;styrene

ethenyl 2-phenylethenesulfonate;styrene (PubChem CID 174440573) has the molecular formula C18H18O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is ethenyl 2-phenylethenesulfonate;styrene.

Molecular Properties

Compound Nameethenyl 2-phenylethenesulfonate;styrene
PubChem CID174440573
Molecular FormulaC18H18O3S
Molecular Weight314.41 g/mol
Exact Mass314.10
IUPAC Nameethenyl 2-phenylethenesulfonate;styrene
SMILESC=COS(=O)(=O)C=Cc1ccccc1.C=Cc1ccccc1
InChIInChI=1S/C10H10O3S.C8H8/c1-2-13-14(11,12)9-8-10-6-4-3-5-7-10;1-2-8-6-4-3-5-7-8/h2-9H,1H2;2-7H,1H2
InChIKeyRCSBZBDTIBDZHL-UHFFFAOYSA-N
XLogP4.48
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

ethenyl 2-ethenylbenzenesulfonate;styrene
CID 174365120
carboxy 2-phenylethenesulfonate
CID 174718044
disodium;ethenylsulfonyl 2-phenylethenesulfonate;hydride
CID 175553273
sodium;1,4-bis(ethenyl)benzene;hydride;2-phenylethenesulfonic acid
CID 174291197
lanthanum;phosphanyl 2-phenylethenesulfonate
CID 175140449
formaldehyde;molybdenum;styrene
CID 173281730
styrene;tetrahydrofluoride
CID 68985344
benzene;ethene;styrene
CID 159006852
CID 57450570
CID 57450570
cadmium;styrene
CID 158944156
sodium;2-methylbuta-1,3-diene;2-phenylethenesulfonate;styrene
CID 159389985
methanesulfonoperoxoic acid;styrene
CID 87237870

Frequently Asked Questions

What is the IUPAC name of ethenyl 2-phenylethenesulfonate;styrene?
The IUPAC name of ethenyl 2-phenylethenesulfonate;styrene (CID 174440573) is ethenyl 2-phenylethenesulfonate;styrene.
What is the SMILES notation for ethenyl 2-phenylethenesulfonate;styrene?
The canonical SMILES for ethenyl 2-phenylethenesulfonate;styrene is C=COS(=O)(=O)C=Cc1ccccc1.C=Cc1ccccc1.
What is the InChIKey of ethenyl 2-phenylethenesulfonate;styrene?
The InChIKey is RCSBZBDTIBDZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3S.C8H8/c1-2-13-14(11,12)9-8-10-6-4-3-5-7-10;1-2-8-6-4-3-5-7-8/h2-9H,1H2;2-7H,1H2.
What are the key properties of ethenyl 2-phenylethenesulfonate;styrene?
ethenyl 2-phenylethenesulfonate;styrene has a molecular weight of 314.41 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 2-phenylethenesulfonate;styrene is sourced from PubChem (CID 174440573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).