2-hydroxy-4-methylsulfanylbutanoic acid;manganese

C5H10MnO3S — CID 174627815

IUPAC2-hydroxy-4-methylsulfanylbutanoic acid;manganese
SMILESCSCCC(O)C(=O)O.[Mn]
InChIInChI=1S/C5H10O3S.Mn/c1-9-3-2-4(6)5(7)8;/h4,6H,2-3H2,1H3,(H,7,8);
InChIKeyOPYPZFUCAKGUQF-UHFFFAOYSA-N
MW205.14 g/mol
LogP0.18
Rot. Bonds4

About 2-hydroxy-4-methylsulfanylbutanoic acid;manganese

2-hydroxy-4-methylsulfanylbutanoic acid;manganese (PubChem CID 174627815) has the molecular formula C5H10MnO3S and a molecular weight of 205.14 g/mol. Its IUPAC name is 2-hydroxy-4-methylsulfanylbutanoic acid;manganese.

Molecular Properties

Compound Name2-hydroxy-4-methylsulfanylbutanoic acid;manganese
PubChem CID174627815
Molecular FormulaC5H10MnO3S
Molecular Weight205.14 g/mol
Exact Mass204.97
IUPAC Name2-hydroxy-4-methylsulfanylbutanoic acid;manganese
SMILESCSCCC(O)C(=O)O.[Mn]
InChIInChI=1S/C5H10O3S.Mn/c1-9-3-2-4(6)5(7)8;/h4,6H,2-3H2,1H3,(H,7,8);
InChIKeyOPYPZFUCAKGUQF-UHFFFAOYSA-N
XLogP0.18
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.14
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-4-methylsulfanylbutanoic acid;bis(nickel(2+))
CID 46207063
butanedioic acid;2-hydroxy-4-methylsulfanylbutanoic acid
CID 175175078
2-(2-methylsulfanylethyl)propanedioic acid
CID 87755273
(2S)-2-hydroxy-3-methylsulfanylpropanoic acid
CID 59794223
2-amino-4-methylsulfanylbutanoic acid
CID 876
(2R)-2-(15N)azanyl-4-methylsulfanylbutanoic acid
CID 150150636
(2S)-2-amino-4-methylsulfanylbutanoic acid
CID 6137
2-amino-4-(113C)methylsulfanylbutanoic acid
CID 15556496
(2S)-2-(15N)azanyl-4-(113C)methylsulfanylbutanoic acid
CID 131708710
acetic acid;acetyl chloride;2-hydroxy-4-methylsulfanylbutanoic acid;bis(propan-2-ol);propan-2-yl acetate;bis(propan-2-yl 2-hydroxy-4-methylsulfanylbutanoate);hydrate;hydrochloride
CID 167570909
bis([(1S)-1-carboxy-3-methylsulfanylpropyl]azanide);platinum(2+)
CID 172761205
(2S)-2-amino-4-methylsulfanylbutanoic acid;molybdenum
CID 174796438

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methylsulfanylbutanoic acid;manganese?
The IUPAC name of 2-hydroxy-4-methylsulfanylbutanoic acid;manganese (CID 174627815) is 2-hydroxy-4-methylsulfanylbutanoic acid;manganese.
What is the SMILES notation for 2-hydroxy-4-methylsulfanylbutanoic acid;manganese?
The canonical SMILES for 2-hydroxy-4-methylsulfanylbutanoic acid;manganese is CSCCC(O)C(=O)O.[Mn].
What is the InChIKey of 2-hydroxy-4-methylsulfanylbutanoic acid;manganese?
The InChIKey is OPYPZFUCAKGUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3S.Mn/c1-9-3-2-4(6)5(7)8;/h4,6H,2-3H2,1H3,(H,7,8);.
What are the key properties of 2-hydroxy-4-methylsulfanylbutanoic acid;manganese?
2-hydroxy-4-methylsulfanylbutanoic acid;manganese has a molecular weight of 205.14 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methylsulfanylbutanoic acid;manganese is sourced from PubChem (CID 174627815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).