About methanidylsulfanylmethane
methanidylsulfanylmethane (PubChem CID 3753457) has the molecular formula C2H5S-
and a molecular weight of 61.13 g/mol. Its IUPAC name is methanidylsulfanylmethane.
Molecular Properties
| Compound Name | methanidylsulfanylmethane |
|---|
| PubChem CID | 3753457 |
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| Molecular Formula | C2H5S- |
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| Molecular Weight | 61.13 g/mol |
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| Exact Mass | 61.01 |
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| IUPAC Name | methanidylsulfanylmethane |
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| SMILES | [CH2-]SC |
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| InChI | InChI=1S/C2H5S/c1-3-2/h1H2,2H3/q-1 |
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| InChIKey | MQFHQFMLCSDXHO-UHFFFAOYSA-N |
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| XLogP | 1.14 |
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| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 1 |
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| Rotatable Bonds | |
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| Heavy Atoms | 3 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 61.13 |
| LogP ≤ 5 | 1.14 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of methanidylsulfanylmethane?
The IUPAC name of methanidylsulfanylmethane (CID 3753457) is methanidylsulfanylmethane.
What is the SMILES notation for methanidylsulfanylmethane?
The canonical SMILES for methanidylsulfanylmethane is [CH2-]SC.
What is the InChIKey of methanidylsulfanylmethane?
The InChIKey is MQFHQFMLCSDXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5S/c1-3-2/h1H2,2H3/q-1.
What are the key properties of methanidylsulfanylmethane?
methanidylsulfanylmethane has a molecular weight of 61.13 g/mol, XLogP of 1.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanidylsulfanylmethane is sourced from PubChem (CID 3753457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).