2-hydroxybutanedioic acid;methylsulfinylmethane

C6H12O6S — CID 175504594

IUPAC2-hydroxybutanedioic acid;methylsulfinylmethane
SMILESCS(C)=O.O=C(O)CC(O)C(=O)O
InChIInChI=1S/C4H6O5.C2H6OS/c5-2(4(8)9)1-3(6)7;1-4(2)3/h2,5H,1H2,(H,6,7)(H,8,9);1-2H3
InChIKeyDAUIBZFPDCJZEH-UHFFFAOYSA-N
MW212.22 g/mol
LogP-1.10
Rot. Bonds3

About 2-hydroxybutanedioic acid;methylsulfinylmethane

2-hydroxybutanedioic acid;methylsulfinylmethane (PubChem CID 175504594) has the molecular formula C6H12O6S and a molecular weight of 212.22 g/mol. Its IUPAC name is 2-hydroxybutanedioic acid;methylsulfinylmethane.

Molecular Properties

Compound Name2-hydroxybutanedioic acid;methylsulfinylmethane
PubChem CID175504594
Molecular FormulaC6H12O6S
Molecular Weight212.22 g/mol
Exact Mass212.04
IUPAC Name2-hydroxybutanedioic acid;methylsulfinylmethane
SMILESCS(C)=O.O=C(O)CC(O)C(=O)O
InChIInChI=1S/C4H6O5.C2H6OS/c5-2(4(8)9)1-3(6)7;1-4(2)3/h2,5H,1H2,(H,6,7)(H,8,9);1-2H3
InChIKeyDAUIBZFPDCJZEH-UHFFFAOYSA-N
XLogP-1.10
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

cobalt;2-hydroxybutanedioic acid
CID 87544145
carbonic acid;2-hydroxybutanedioic acid
CID 160732172
2-hydroxybutanedioic acid;iron
CID 174146167
acetic acid;copper;2-hydroxybutanedioic acid
CID 175107089
2-hydroxybutanedioic acid;hydrate;hydrochloride
CID 172717640
azane;bismuthane;2-hydroxybutanedioic acid
CID 173447177
ethanethioic S-acid;2-hydroxybutanedioic acid
CID 174988031
boric acid;bis(2-hydroxybutanedioic acid)
CID 175869930
2-aminoacetic acid;2-hydroxybutanedioic acid
CID 87750134
sodium;ethane-1,2-diol;2-hydroxybutanedioic acid;hydroxide
CID 173385796
(Z)-but-2-enedioic acid;2-hydroxybutanedioic acid
CID 87256588
2-aminobutanedioic acid;2-hydroxybutanedioic acid
CID 87166699

Frequently Asked Questions

What is the IUPAC name of 2-hydroxybutanedioic acid;methylsulfinylmethane?
The IUPAC name of 2-hydroxybutanedioic acid;methylsulfinylmethane (CID 175504594) is 2-hydroxybutanedioic acid;methylsulfinylmethane.
What is the SMILES notation for 2-hydroxybutanedioic acid;methylsulfinylmethane?
The canonical SMILES for 2-hydroxybutanedioic acid;methylsulfinylmethane is CS(C)=O.O=C(O)CC(O)C(=O)O.
What is the InChIKey of 2-hydroxybutanedioic acid;methylsulfinylmethane?
The InChIKey is DAUIBZFPDCJZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O5.C2H6OS/c5-2(4(8)9)1-3(6)7;1-4(2)3/h2,5H,1H2,(H,6,7)(H,8,9);1-2H3.
What are the key properties of 2-hydroxybutanedioic acid;methylsulfinylmethane?
2-hydroxybutanedioic acid;methylsulfinylmethane has a molecular weight of 212.22 g/mol, XLogP of -1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybutanedioic acid;methylsulfinylmethane is sourced from PubChem (CID 175504594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).