ethyl sulfite;toluene

C9H13O3S- — CID 174835757

IUPACethyl sulfite;toluene
SMILESCCOS(=O)[O-].Cc1ccccc1
InChIInChI=1S/C7H8.C2H6O3S/c1-7-5-3-2-4-6-7;1-2-5-6(3)4/h2-6H,1H3;2H2,1H3,(H,3,4)/p-1
InChIKeyYIMVZOKYOIQKEN-UHFFFAOYSA-M
MW201.27 g/mol
LogP1.81
Rot. Bonds2

About ethyl sulfite;toluene

ethyl sulfite;toluene (PubChem CID 174835757) has the molecular formula C9H13O3S- and a molecular weight of 201.27 g/mol. Its IUPAC name is ethyl sulfite;toluene.

Molecular Properties

Compound Nameethyl sulfite;toluene
PubChem CID174835757
Molecular FormulaC9H13O3S-
Molecular Weight201.27 g/mol
Exact Mass201.06
IUPAC Nameethyl sulfite;toluene
SMILESCCOS(=O)[O-].Cc1ccccc1
InChIInChI=1S/C7H8.C2H6O3S/c1-7-5-3-2-4-6-7;1-2-5-6(3)4/h2-6H,1H3;2H2,1H3,(H,3,4)/p-1
InChIKeyYIMVZOKYOIQKEN-UHFFFAOYSA-M
XLogP1.81
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

hydrogen sulfite;toluene;hydrate
CID 69184571
bicyclo[2.2.0]hexa-1,3,5-triene;hydrogen sulfite;toluene
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CID 175101937
CID 175101937
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CID 91053661
oxomercury;toluene
CID 174717666
propane;toluene
CID 91364516
propane;toluene
CID 91263172
ethyl benzenesulfinate
CID 6421224
(4-phenylphenyl)methyl sulfite
CID 175522755
ethane;propane;toluene
CID 54475116
ethane;propane;toluene
CID 91304114
benzene;ethane;propane;toluene
CID 161363335

Frequently Asked Questions

What is the IUPAC name of ethyl sulfite;toluene?
The IUPAC name of ethyl sulfite;toluene (CID 174835757) is ethyl sulfite;toluene.
What is the SMILES notation for ethyl sulfite;toluene?
The canonical SMILES for ethyl sulfite;toluene is CCOS(=O)[O-].Cc1ccccc1.
What is the InChIKey of ethyl sulfite;toluene?
The InChIKey is YIMVZOKYOIQKEN-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8.C2H6O3S/c1-7-5-3-2-4-6-7;1-2-5-6(3)4/h2-6H,1H3;2H2,1H3,(H,3,4)/p-1.
What are the key properties of ethyl sulfite;toluene?
ethyl sulfite;toluene has a molecular weight of 201.27 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl sulfite;toluene is sourced from PubChem (CID 174835757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).