deuterium monohydride;3-methyl-1,3-thiazolidine-2,4-dione

C4H7NO2S — CID 159718950

IUPACdeuterium monohydride;3-methyl-1,3-thiazolidine-2,4-dione
SMILESCN1C(=O)CSC1=O.[H][2H]
InChIInChI=1S/C4H5NO2S.H2/c1-5-3(6)2-8-4(5)7;/h2H2,1H3;1H/i;1+1
InChIKeyMZUBHVBGENXBFO-IEOVAKBOSA-N
MW134.18 g/mol
LogP0.56
Rot. Bonds

About deuterium monohydride;3-methyl-1,3-thiazolidine-2,4-dione

deuterium monohydride;3-methyl-1,3-thiazolidine-2,4-dione (PubChem CID 159718950) has the molecular formula C4H7NO2S and a molecular weight of 134.18 g/mol. Its IUPAC name is deuterium monohydride;3-methyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Namedeuterium monohydride;3-methyl-1,3-thiazolidine-2,4-dione
PubChem CID159718950
Molecular FormulaC4H7NO2S
Molecular Weight134.18 g/mol
Exact Mass134.03
IUPAC Namedeuterium monohydride;3-methyl-1,3-thiazolidine-2,4-dione
SMILESCN1C(=O)CSC1=O.[H][2H]
InChIInChI=1S/C4H5NO2S.H2/c1-5-3(6)2-8-4(5)7;/h2H2,1H3;1H/i;1+1
InChIKeyMZUBHVBGENXBFO-IEOVAKBOSA-N
XLogP0.56
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of deuterium monohydride;3-methyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of deuterium monohydride;3-methyl-1,3-thiazolidine-2,4-dione (CID 159718950) is deuterium monohydride;3-methyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for deuterium monohydride;3-methyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for deuterium monohydride;3-methyl-1,3-thiazolidine-2,4-dione is CN1C(=O)CSC1=O.[H][2H].
What is the InChIKey of deuterium monohydride;3-methyl-1,3-thiazolidine-2,4-dione?
The InChIKey is MZUBHVBGENXBFO-IEOVAKBOSA-N. The full InChI is InChI=1S/C4H5NO2S.H2/c1-5-3(6)2-8-4(5)7;/h2H2,1H3;1H/i;1+1.
What are the key properties of deuterium monohydride;3-methyl-1,3-thiazolidine-2,4-dione?
deuterium monohydride;3-methyl-1,3-thiazolidine-2,4-dione has a molecular weight of 134.18 g/mol, XLogP of 0.56, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for deuterium monohydride;3-methyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 159718950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).