[2-amino-1-(methylamino)ethyl] methanedithioate

C4H10N2S2 — CID 57154683

IUPAC[2-amino-1-(methylamino)ethyl] methanedithioate
SMILESCNC(CN)SC=S
InChIInChI=1S/C4H10N2S2/c1-6-4(2-5)8-3-7/h3-4,6H,2,5H2,1H3
InChIKeyGIQOZFLEJQSVBA-UHFFFAOYSA-N
MW150.27 g/mol
LogP0.18
Rot. Bonds4

About [2-amino-1-(methylamino)ethyl] methanedithioate

[2-amino-1-(methylamino)ethyl] methanedithioate (PubChem CID 57154683) has the molecular formula C4H10N2S2 and a molecular weight of 150.27 g/mol. Its IUPAC name is [2-amino-1-(methylamino)ethyl] methanedithioate.

Molecular Properties

Compound Name[2-amino-1-(methylamino)ethyl] methanedithioate
PubChem CID57154683
Molecular FormulaC4H10N2S2
Molecular Weight150.27 g/mol
Exact Mass150.03
IUPAC Name[2-amino-1-(methylamino)ethyl] methanedithioate
SMILESCNC(CN)SC=S
InChIInChI=1S/C4H10N2S2/c1-6-4(2-5)8-3-7/h3-4,6H,2,5H2,1H3
InChIKeyGIQOZFLEJQSVBA-UHFFFAOYSA-N
XLogP0.18
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.27
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-amino-1-(methylamino)ethyl] methanedithioate?
The IUPAC name of [2-amino-1-(methylamino)ethyl] methanedithioate (CID 57154683) is [2-amino-1-(methylamino)ethyl] methanedithioate.
What is the SMILES notation for [2-amino-1-(methylamino)ethyl] methanedithioate?
The canonical SMILES for [2-amino-1-(methylamino)ethyl] methanedithioate is CNC(CN)SC=S.
What is the InChIKey of [2-amino-1-(methylamino)ethyl] methanedithioate?
The InChIKey is GIQOZFLEJQSVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2S2/c1-6-4(2-5)8-3-7/h3-4,6H,2,5H2,1H3.
What are the key properties of [2-amino-1-(methylamino)ethyl] methanedithioate?
[2-amino-1-(methylamino)ethyl] methanedithioate has a molecular weight of 150.27 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-1-(methylamino)ethyl] methanedithioate is sourced from PubChem (CID 57154683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).