bis(dihydroxymethyl) sulfite

C2H6O7S — CID 174749902

IUPACbis(dihydroxymethyl) sulfite
SMILESO=S(OC(O)O)OC(O)O
InChIInChI=1S/C2H6O7S/c3-1(4)8-10(7)9-2(5)6/h1-6H
InChIKeyURCDKJKPXQRLIY-UHFFFAOYSA-N
MW174.13 g/mol
LogP-2.87
Rot. Bonds4

About bis(dihydroxymethyl) sulfite

bis(dihydroxymethyl) sulfite (PubChem CID 174749902) has the molecular formula C2H6O7S and a molecular weight of 174.13 g/mol. Its IUPAC name is bis(dihydroxymethyl) sulfite.

Molecular Properties

Compound Namebis(dihydroxymethyl) sulfite
PubChem CID174749902
Molecular FormulaC2H6O7S
Molecular Weight174.13 g/mol
Exact Mass173.98
IUPAC Namebis(dihydroxymethyl) sulfite
SMILESO=S(OC(O)O)OC(O)O
InChIInChI=1S/C2H6O7S/c3-1(4)8-10(7)9-2(5)6/h1-6H
InChIKeyURCDKJKPXQRLIY-UHFFFAOYSA-N
XLogP-2.87
TPSA116.45 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.13
LogP ≤ 5-2.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

bis(1,3,3,3-tetrafluoropropyl) sulfite
CID 87626105
dibutan-2-yl sulfite
CID 545722
propan-2-ol;sulfur trioxide
CID 174853571
1,2-dihydroxyethane-1,2-disulfinic acid
CID 87186532
1-hydroxypropyl sulfite
CID 20545655
hydroxy(methoxy)methanesulfinic acid
CID 135238346
sulfino 3-methylbutanoate
CID 91281138
bis(4-hydroxypentyl) sulfite
CID 155124795
3-methylbutanoyl sulfite
CID 91281137
hydroperoxymethanediol;phosphane
CID 174894186
1,3-disulfonylpropan-2-ol
CID 22184290
1,2-diaminoethyl hydrogen sulfite
CID 23322422

Frequently Asked Questions

What is the IUPAC name of bis(dihydroxymethyl) sulfite?
The IUPAC name of bis(dihydroxymethyl) sulfite (CID 174749902) is bis(dihydroxymethyl) sulfite.
What is the SMILES notation for bis(dihydroxymethyl) sulfite?
The canonical SMILES for bis(dihydroxymethyl) sulfite is O=S(OC(O)O)OC(O)O.
What is the InChIKey of bis(dihydroxymethyl) sulfite?
The InChIKey is URCDKJKPXQRLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O7S/c3-1(4)8-10(7)9-2(5)6/h1-6H.
What are the key properties of bis(dihydroxymethyl) sulfite?
bis(dihydroxymethyl) sulfite has a molecular weight of 174.13 g/mol, XLogP of -2.87, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dihydroxymethyl) sulfite is sourced from PubChem (CID 174749902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).