2-methylsulfanyl-N-tritioacetamide

C3H7NOS — CID 122413144

IUPAC2-methylsulfanyl-N-tritioacetamide
SMILES[3H]NC(=O)CSC
InChIInChI=1S/C3H7NOS/c1-6-2-3(4)5/h2H2,1H3,(H2,4,5)/i/hT
InChIKeyOBENGAMZEGRSIC-MNYXATJNSA-N
MW107.17 g/mol
LogP-0.17
Rot. Bonds2

About 2-methylsulfanyl-N-tritioacetamide

2-methylsulfanyl-N-tritioacetamide (PubChem CID 122413144) has the molecular formula C3H7NOS and a molecular weight of 107.17 g/mol. Its IUPAC name is 2-methylsulfanyl-N-tritioacetamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-tritioacetamide
PubChem CID122413144
Molecular FormulaC3H7NOS
Molecular Weight107.17 g/mol
Exact Mass107.03
IUPAC Name2-methylsulfanyl-N-tritioacetamide
SMILES[3H]NC(=O)CSC
InChIInChI=1S/C3H7NOS/c1-6-2-3(4)5/h2H2,1H3,(H2,4,5)/i/hT
InChIKeyOBENGAMZEGRSIC-MNYXATJNSA-N
XLogP-0.17
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.17
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-tritioacetamide?
The IUPAC name of 2-methylsulfanyl-N-tritioacetamide (CID 122413144) is 2-methylsulfanyl-N-tritioacetamide.
What is the SMILES notation for 2-methylsulfanyl-N-tritioacetamide?
The canonical SMILES for 2-methylsulfanyl-N-tritioacetamide is [3H]NC(=O)CSC.
What is the InChIKey of 2-methylsulfanyl-N-tritioacetamide?
The InChIKey is OBENGAMZEGRSIC-MNYXATJNSA-N. The full InChI is InChI=1S/C3H7NOS/c1-6-2-3(4)5/h2H2,1H3,(H2,4,5)/i/hT.
What are the key properties of 2-methylsulfanyl-N-tritioacetamide?
2-methylsulfanyl-N-tritioacetamide has a molecular weight of 107.17 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-tritioacetamide is sourced from PubChem (CID 122413144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).