1-deuterio-3-methyl-2-sulfanylideneimidazolidin-4-one

C4H6N2OS — CID 142755261

IUPAC1-deuterio-3-methyl-2-sulfanylideneimidazolidin-4-one
SMILES[2H]N1CC(=O)N(C)C1=S
InChIInChI=1S/C4H6N2OS/c1-6-3(7)2-5-4(6)8/h2H2,1H3,(H,5,8)/i/hD
InChIKeyMEJHYNPOIFOIIU-DYCDLGHISA-N
MW131.18 g/mol
LogP-0.67
Rot. Bonds

About 1-deuterio-3-methyl-2-sulfanylideneimidazolidin-4-one

1-deuterio-3-methyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 142755261) has the molecular formula C4H6N2OS and a molecular weight of 131.18 g/mol. Its IUPAC name is 1-deuterio-3-methyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name1-deuterio-3-methyl-2-sulfanylideneimidazolidin-4-one
PubChem CID142755261
Molecular FormulaC4H6N2OS
Molecular Weight131.18 g/mol
Exact Mass131.03
IUPAC Name1-deuterio-3-methyl-2-sulfanylideneimidazolidin-4-one
SMILES[2H]N1CC(=O)N(C)C1=S
InChIInChI=1S/C4H6N2OS/c1-6-3(7)2-5-4(6)8/h2H2,1H3,(H,5,8)/i/hD
InChIKeyMEJHYNPOIFOIIU-DYCDLGHISA-N
XLogP-0.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methylimidazolidine-2,4-dione;molecular hydrogen
CID 165132558
3,5-dimethyl-1,3,5-triazepane-2,4,6-trione
CID 155106929
3-methyl-5-propan-2-ylidene-2-sulfanylideneimidazolidin-4-one
CID 21049415
3-methylimidazolidine-2,4-dione;toluene
CID 174814099
1,3-dimethyl-2-sulfanylideneimidazolidin-4-one;ethane
CID 142135855
2,8-dimethyl-5,6-dihydropteridin-7-one
CID 121388812
7-chloro-1-methyl-3,4-dihydroquinoxalin-2-one
CID 84619430
6-amino-1-methyl-3,4-dihydroquinoxalin-2-one
CID 28693613
5-bromo-1,7-dimethyl-3,4-dihydroquinoxalin-2-one
CID 84635544
aziridin-2-one
CID 158991665
3-(3-propan-2-yloxypropyl)-2-sulfanylideneimidazolidin-4-one
CID 43995694
7-bromo-6-fluoro-1-methyl-3,4-dihydroquinoxalin-2-one
CID 162753594

Frequently Asked Questions

What is the IUPAC name of 1-deuterio-3-methyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 1-deuterio-3-methyl-2-sulfanylideneimidazolidin-4-one (CID 142755261) is 1-deuterio-3-methyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 1-deuterio-3-methyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 1-deuterio-3-methyl-2-sulfanylideneimidazolidin-4-one is [2H]N1CC(=O)N(C)C1=S.
What is the InChIKey of 1-deuterio-3-methyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is MEJHYNPOIFOIIU-DYCDLGHISA-N. The full InChI is InChI=1S/C4H6N2OS/c1-6-3(7)2-5-4(6)8/h2H2,1H3,(H,5,8)/i/hD.
What are the key properties of 1-deuterio-3-methyl-2-sulfanylideneimidazolidin-4-one?
1-deuterio-3-methyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 131.18 g/mol, XLogP of -0.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-deuterio-3-methyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 142755261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).