methylamino N'-methylcarbamimidothioate

C3H9N3S — CID 174757992

IUPACmethylamino N'-methylcarbamimidothioate
SMILESC/N=C(\N)SNC
InChIInChI=1S/C3H9N3S/c1-5-3(4)7-6-2/h6H,1-2H3,(H2,4,5)
InChIKeyOVXVPNOCKHSNDP-UHFFFAOYSA-N
MW119.19 g/mol
LogP-0.20
Rot. Bonds1

About methylamino N'-methylcarbamimidothioate

methylamino N'-methylcarbamimidothioate (PubChem CID 174757992) has the molecular formula C3H9N3S and a molecular weight of 119.19 g/mol. Its IUPAC name is methylamino N'-methylcarbamimidothioate.

Molecular Properties

Compound Namemethylamino N'-methylcarbamimidothioate
PubChem CID174757992
Molecular FormulaC3H9N3S
Molecular Weight119.19 g/mol
Exact Mass119.05
IUPAC Namemethylamino N'-methylcarbamimidothioate
SMILESC/N=C(\N)SNC
InChIInChI=1S/C3H9N3S/c1-5-3(4)7-6-2/h6H,1-2H3,(H2,4,5)
InChIKeyOVXVPNOCKHSNDP-UHFFFAOYSA-N
XLogP-0.20
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.19
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
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': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methylamino N'-methylcarbamimidothioate?
The IUPAC name of methylamino N'-methylcarbamimidothioate (CID 174757992) is methylamino N'-methylcarbamimidothioate.
What is the SMILES notation for methylamino N'-methylcarbamimidothioate?
The canonical SMILES for methylamino N'-methylcarbamimidothioate is C/N=C(\N)SNC.
What is the InChIKey of methylamino N'-methylcarbamimidothioate?
The InChIKey is OVXVPNOCKHSNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3S/c1-5-3(4)7-6-2/h6H,1-2H3,(H2,4,5).
What are the key properties of methylamino N'-methylcarbamimidothioate?
methylamino N'-methylcarbamimidothioate has a molecular weight of 119.19 g/mol, XLogP of -0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylamino N'-methylcarbamimidothioate is sourced from PubChem (CID 174757992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).