methyl N-(methylamino)methanimidothioate

C3H8N2S — CID 91455065

IUPACmethyl N-(methylamino)methanimidothioate
SMILESCNN=CSC
InChIInChI=1S/C3H8N2S/c1-4-5-3-6-2/h3-4H,1-2H3
InChIKeyHTLVIWFMTNWTSE-UHFFFAOYSA-N
MW104.18 g/mol
LogP0.51
Rot. Bonds2

About methyl N-(methylamino)methanimidothioate

methyl N-(methylamino)methanimidothioate (PubChem CID 91455065) has the molecular formula C3H8N2S and a molecular weight of 104.18 g/mol. Its IUPAC name is methyl N-(methylamino)methanimidothioate.

Molecular Properties

Compound Namemethyl N-(methylamino)methanimidothioate
PubChem CID91455065
Molecular FormulaC3H8N2S
Molecular Weight104.18 g/mol
Exact Mass104.04
IUPAC Namemethyl N-(methylamino)methanimidothioate
SMILESCNN=CSC
InChIInChI=1S/C3H8N2S/c1-4-5-3-6-2/h3-4H,1-2H3
InChIKeyHTLVIWFMTNWTSE-UHFFFAOYSA-N
XLogP0.51
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.18
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-(methylamino)methanimidothioate?
The IUPAC name of methyl N-(methylamino)methanimidothioate (CID 91455065) is methyl N-(methylamino)methanimidothioate.
What is the SMILES notation for methyl N-(methylamino)methanimidothioate?
The canonical SMILES for methyl N-(methylamino)methanimidothioate is CNN=CSC.
What is the InChIKey of methyl N-(methylamino)methanimidothioate?
The InChIKey is HTLVIWFMTNWTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2S/c1-4-5-3-6-2/h3-4H,1-2H3.
What are the key properties of methyl N-(methylamino)methanimidothioate?
methyl N-(methylamino)methanimidothioate has a molecular weight of 104.18 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(methylamino)methanimidothioate is sourced from PubChem (CID 91455065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).