disodium;ethenylsulfonyl 2-phenylethenesulfonate;hydride

C10H12Na2O5S2 — CID 175553273

IUPACdisodium;ethenylsulfonyl 2-phenylethenesulfonate;hydride
SMILESC=CS(=O)(=O)OS(=O)(=O)C=Cc1ccccc1.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C10H10O5S2.2Na.2H/c1-2-16(11,12)15-17(13,14)9-8-10-6-4-3-5-7-10;;;;/h2-9H,1H2;;;;/q;2*+1;2*-1
InChIKeyBPHSIDSKPXODNP-UHFFFAOYSA-N
MW322.31 g/mol
LogP-4.29
Rot. Bonds5

About disodium;ethenylsulfonyl 2-phenylethenesulfonate;hydride

disodium;ethenylsulfonyl 2-phenylethenesulfonate;hydride (PubChem CID 175553273) has the molecular formula C10H12Na2O5S2 and a molecular weight of 322.31 g/mol. Its IUPAC name is disodium;ethenylsulfonyl 2-phenylethenesulfonate;hydride.

Molecular Properties

Compound Namedisodium;ethenylsulfonyl 2-phenylethenesulfonate;hydride
PubChem CID175553273
Molecular FormulaC10H12Na2O5S2
Molecular Weight322.31 g/mol
Exact Mass321.99
IUPAC Namedisodium;ethenylsulfonyl 2-phenylethenesulfonate;hydride
SMILESC=CS(=O)(=O)OS(=O)(=O)C=Cc1ccccc1.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C10H10O5S2.2Na.2H/c1-2-16(11,12)15-17(13,14)9-8-10-6-4-3-5-7-10;;;;/h2-9H,1H2;;;;/q;2*+1;2*-1
InChIKeyBPHSIDSKPXODNP-UHFFFAOYSA-N
XLogP-4.29
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.31
LogP ≤ 5-4.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethenyl 2-phenylethenesulfonate;styrene
CID 174440573
lanthanum;phosphanyl 2-phenylethenesulfonate
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sodium;hydride;propyl 2-phenylethenesulfonate
CID 174467762
carboxy 2-phenylethenesulfonate
CID 174718044
sodium;1,4-bis(ethenyl)benzene;hydride;2-phenylethenesulfonic acid
CID 174291197
sodium;hydride;phenyl ethenesulfonate
CID 174175165
potassium;ethenesulfonic acid;2-phenylethenesulfonate
CID 172779366
hydride;2-phenylethenesulfonic acid;rubidium(1+)
CID 173085855
(2-methylpropan-2-yl)oxycarbonyl 2-phenylethenesulfonate
CID 57257063
(4-phenoxyphenyl) 2-phenylethenesulfonate
CID 4208606
disodium;hydride;(E)-stilbene
CID 173089328
(E)-2-phenylethenesulfonic acid;prop-2-enoic acid
CID 87308391

Frequently Asked Questions

What is the IUPAC name of disodium;ethenylsulfonyl 2-phenylethenesulfonate;hydride?
The IUPAC name of disodium;ethenylsulfonyl 2-phenylethenesulfonate;hydride (CID 175553273) is disodium;ethenylsulfonyl 2-phenylethenesulfonate;hydride.
What is the SMILES notation for disodium;ethenylsulfonyl 2-phenylethenesulfonate;hydride?
The canonical SMILES for disodium;ethenylsulfonyl 2-phenylethenesulfonate;hydride is C=CS(=O)(=O)OS(=O)(=O)C=Cc1ccccc1.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;ethenylsulfonyl 2-phenylethenesulfonate;hydride?
The InChIKey is BPHSIDSKPXODNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O5S2.2Na.2H/c1-2-16(11,12)15-17(13,14)9-8-10-6-4-3-5-7-10;;;;/h2-9H,1H2;;;;/q;2*+1;2*-1.
What are the key properties of disodium;ethenylsulfonyl 2-phenylethenesulfonate;hydride?
disodium;ethenylsulfonyl 2-phenylethenesulfonate;hydride has a molecular weight of 322.31 g/mol, XLogP of -4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;ethenylsulfonyl 2-phenylethenesulfonate;hydride is sourced from PubChem (CID 175553273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).