sodium;(3-chloro-2-hydroxypropyl) sulfite;hydride

C3H7ClNaO4S- — CID 174353627

IUPACsodium;(3-chloro-2-hydroxypropyl) sulfite;hydride
SMILESO=S([O-])OCC(O)CCl.[H-].[Na+]
InChIInChI=1S/C3H7ClO4S.Na.H/c4-1-3(5)2-8-9(6)7;;/h3,5H,1-2H2,(H,6,7);;/q;+1;-1/p-1
InChIKeySZBMINXUPDDJGA-UHFFFAOYSA-M
MW197.59 g/mol
LogP-3.49
Rot. Bonds4

About sodium;(3-chloro-2-hydroxypropyl) sulfite;hydride

sodium;(3-chloro-2-hydroxypropyl) sulfite;hydride (PubChem CID 174353627) has the molecular formula C3H7ClNaO4S- and a molecular weight of 197.59 g/mol. Its IUPAC name is sodium;(3-chloro-2-hydroxypropyl) sulfite;hydride.

Molecular Properties

Compound Namesodium;(3-chloro-2-hydroxypropyl) sulfite;hydride
PubChem CID174353627
Molecular FormulaC3H7ClNaO4S-
Molecular Weight197.59 g/mol
Exact Mass196.97
IUPAC Namesodium;(3-chloro-2-hydroxypropyl) sulfite;hydride
SMILESO=S([O-])OCC(O)CCl.[H-].[Na+]
InChIInChI=1S/C3H7ClO4S.Na.H/c4-1-3(5)2-8-9(6)7;;/h3,5H,1-2H2,(H,6,7);;/q;+1;-1/p-1
InChIKeySZBMINXUPDDJGA-UHFFFAOYSA-M
XLogP-3.49
TPSA69.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.59
LogP ≤ 5-3.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

sodium 2,3-dihydroxypropyl sulfite
CID 174802259
(3-bromo-2-hydroxypropyl) sulfite
CID 57036020
(3-chloro-2-hydroxypropyl) nitrate
CID 10931674
(2S)-1-aminooxy-3-chloropropan-2-ol
CID 129235257
sodium;2-ethylhexyl sulfite;hydride
CID 174362905
(3-chloro-2-hydroxypropyl) hydroxy hydrogen phosphite
CID 59937036
1,2-Propanediol, 3-chloro-, 1-(hydrogen sulfate), sodium salt (1:1)
CID 170846619
(4-methoxy-2-methyl-4-oxobutyl) sulfite
CID 174272202
sodium;3-chloro-2-hydroxypropane-1-sulfonic acid;hydride
CID 173003545
potassium 3-chloropropyl sulfite
CID 174658395
(3-chloro-2-hydroxypropoxy)-oxo-propan-2-ylphosphanium
CID 14904540
bis(3-chloro-2-hydroxypropyl) methyl phosphate
CID 167583670

Frequently Asked Questions

What is the IUPAC name of sodium;(3-chloro-2-hydroxypropyl) sulfite;hydride?
The IUPAC name of sodium;(3-chloro-2-hydroxypropyl) sulfite;hydride (CID 174353627) is sodium;(3-chloro-2-hydroxypropyl) sulfite;hydride.
What is the SMILES notation for sodium;(3-chloro-2-hydroxypropyl) sulfite;hydride?
The canonical SMILES for sodium;(3-chloro-2-hydroxypropyl) sulfite;hydride is O=S([O-])OCC(O)CCl.[H-].[Na+].
What is the InChIKey of sodium;(3-chloro-2-hydroxypropyl) sulfite;hydride?
The InChIKey is SZBMINXUPDDJGA-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H7ClO4S.Na.H/c4-1-3(5)2-8-9(6)7;;/h3,5H,1-2H2,(H,6,7);;/q;+1;-1/p-1.
What are the key properties of sodium;(3-chloro-2-hydroxypropyl) sulfite;hydride?
sodium;(3-chloro-2-hydroxypropyl) sulfite;hydride has a molecular weight of 197.59 g/mol, XLogP of -3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;(3-chloro-2-hydroxypropyl) sulfite;hydride is sourced from PubChem (CID 174353627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).