2-methylsulfanylethyl sulfite

C3H7O3S2- — CID 118684475

IUPAC2-methylsulfanylethyl sulfite
SMILESCSCCOS(=O)[O-]
InChIInChI=1S/C3H8O3S2/c1-7-3-2-6-8(4)5/h2-3H2,1H3,(H,4,5)/p-1
InChIKeyXDCZTLVIXXHAQS-UHFFFAOYSA-M
MW155.22 g/mol
LogP0.16
Rot. Bonds4

About 2-methylsulfanylethyl sulfite

2-methylsulfanylethyl sulfite (PubChem CID 118684475) has the molecular formula C3H7O3S2- and a molecular weight of 155.22 g/mol. Its IUPAC name is 2-methylsulfanylethyl sulfite.

Molecular Properties

Compound Name2-methylsulfanylethyl sulfite
PubChem CID118684475
Molecular FormulaC3H7O3S2-
Molecular Weight155.22 g/mol
Exact Mass154.98
IUPAC Name2-methylsulfanylethyl sulfite
SMILESCSCCOS(=O)[O-]
InChIInChI=1S/C3H8O3S2/c1-7-3-2-6-8(4)5/h2-3H2,1H3,(H,4,5)/p-1
InChIKeyXDCZTLVIXXHAQS-UHFFFAOYSA-M
XLogP0.16
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyethyl sulfite
CID 54514151
bis(ethane-1,2-diol);2-hydroxyethyl sulfite
CID 174827171
potassium;hydride;octyl sulfite
CID 174439661
4-dimethylsilylbutyl sulfite
CID 123590265
lithium;dodecyl sulfite;hydride
CID 174417370
potassium 3-chloropropyl sulfite
CID 174658395
potassium 3-fluoropropyl sulfite
CID 174672463
formaldehyde;1-methoxy-2-methylsulfanylethane
CID 159879063
2-methoxycarbonyloxyethyl sulfite
CID 118684459
5-aminopentyl sulfite
CID 57200749
2-ethenoxyethyl sulfite
CID 174365194
3-carbamimidoylsulfanylpropyl sulfite
CID 174735683

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanylethyl sulfite?
The IUPAC name of 2-methylsulfanylethyl sulfite (CID 118684475) is 2-methylsulfanylethyl sulfite.
What is the SMILES notation for 2-methylsulfanylethyl sulfite?
The canonical SMILES for 2-methylsulfanylethyl sulfite is CSCCOS(=O)[O-].
What is the InChIKey of 2-methylsulfanylethyl sulfite?
The InChIKey is XDCZTLVIXXHAQS-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H8O3S2/c1-7-3-2-6-8(4)5/h2-3H2,1H3,(H,4,5)/p-1.
What are the key properties of 2-methylsulfanylethyl sulfite?
2-methylsulfanylethyl sulfite has a molecular weight of 155.22 g/mol, XLogP of 0.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanylethyl sulfite is sourced from PubChem (CID 118684475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).