4-methyl-1,3-selenazolidine-2-thione

C4H7NSSe — CID 88784380

IUPAC4-methyl-1,3-selenazolidine-2-thione
SMILESCC1C[Se]C(=S)N1
InChIInChI=1S/C4H7NSSe/c1-3-2-7-4(6)5-3/h3H,2H2,1H3,(H,5,6)
InChIKeyGHVZWTMANWLIBM-UHFFFAOYSA-N
MW180.13 g/mol
LogP0.39
Rot. Bonds

About 4-methyl-1,3-selenazolidine-2-thione

4-methyl-1,3-selenazolidine-2-thione (PubChem CID 88784380) has the molecular formula C4H7NSSe and a molecular weight of 180.13 g/mol. Its IUPAC name is 4-methyl-1,3-selenazolidine-2-thione.

Molecular Properties

Compound Name4-methyl-1,3-selenazolidine-2-thione
PubChem CID88784380
Molecular FormulaC4H7NSSe
Molecular Weight180.13 g/mol
Exact Mass180.95
IUPAC Name4-methyl-1,3-selenazolidine-2-thione
SMILESCC1C[Se]C(=S)N1
InChIInChI=1S/C4H7NSSe/c1-3-2-7-4(6)5-3/h3H,2H2,1H3,(H,5,6)
InChIKeyGHVZWTMANWLIBM-UHFFFAOYSA-N
XLogP0.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(2S)-2,5-dimethylpyrrolidine;ethane
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(4E,5E)-5-ethylidene-2-methyl-4-propylidene-1,3-selenazolidine
CID 143912714
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,3-selenazolidine-2-thione?
The IUPAC name of 4-methyl-1,3-selenazolidine-2-thione (CID 88784380) is 4-methyl-1,3-selenazolidine-2-thione.
What is the SMILES notation for 4-methyl-1,3-selenazolidine-2-thione?
The canonical SMILES for 4-methyl-1,3-selenazolidine-2-thione is CC1C[Se]C(=S)N1.
What is the InChIKey of 4-methyl-1,3-selenazolidine-2-thione?
The InChIKey is GHVZWTMANWLIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NSSe/c1-3-2-7-4(6)5-3/h3H,2H2,1H3,(H,5,6).
What are the key properties of 4-methyl-1,3-selenazolidine-2-thione?
4-methyl-1,3-selenazolidine-2-thione has a molecular weight of 180.13 g/mol, XLogP of 0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3-selenazolidine-2-thione is sourced from PubChem (CID 88784380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).