methyl N'-(dimethylamino)-N-methylidenecarbamimidothioate

C5H11N3S — CID 126629611

IUPACmethyl N'-(dimethylamino)-N-methylidenecarbamimidothioate
SMILESC=N/C(=N\N(C)C)SC
InChIInChI=1S/C5H11N3S/c1-6-5(9-4)7-8(2)3/h1H2,2-4H3/b7-5+
InChIKeyDKMLHGNBTSCGBS-FNORWQNLSA-N
MW145.23 g/mol
LogP0.88
Rot. Bonds1

About methyl N'-(dimethylamino)-N-methylidenecarbamimidothioate

methyl N'-(dimethylamino)-N-methylidenecarbamimidothioate (PubChem CID 126629611) has the molecular formula C5H11N3S and a molecular weight of 145.23 g/mol. Its IUPAC name is methyl N'-(dimethylamino)-N-methylidenecarbamimidothioate.

Molecular Properties

Compound Namemethyl N'-(dimethylamino)-N-methylidenecarbamimidothioate
PubChem CID126629611
Molecular FormulaC5H11N3S
Molecular Weight145.23 g/mol
Exact Mass145.07
IUPAC Namemethyl N'-(dimethylamino)-N-methylidenecarbamimidothioate
SMILESC=N/C(=N\N(C)C)SC
InChIInChI=1S/C5H11N3S/c1-6-5(9-4)7-8(2)3/h1H2,2-4H3/b7-5+
InChIKeyDKMLHGNBTSCGBS-FNORWQNLSA-N
XLogP0.88
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 50.88
H-Bond Donors ≤ 50
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'-(dimethylamino)-N-methylidenecarbamimidothioate?
The IUPAC name of methyl N'-(dimethylamino)-N-methylidenecarbamimidothioate (CID 126629611) is methyl N'-(dimethylamino)-N-methylidenecarbamimidothioate.
What is the SMILES notation for methyl N'-(dimethylamino)-N-methylidenecarbamimidothioate?
The canonical SMILES for methyl N'-(dimethylamino)-N-methylidenecarbamimidothioate is C=N/C(=N\N(C)C)SC.
What is the InChIKey of methyl N'-(dimethylamino)-N-methylidenecarbamimidothioate?
The InChIKey is DKMLHGNBTSCGBS-FNORWQNLSA-N. The full InChI is InChI=1S/C5H11N3S/c1-6-5(9-4)7-8(2)3/h1H2,2-4H3/b7-5+.
What are the key properties of methyl N'-(dimethylamino)-N-methylidenecarbamimidothioate?
methyl N'-(dimethylamino)-N-methylidenecarbamimidothioate has a molecular weight of 145.23 g/mol, XLogP of 0.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N'-(dimethylamino)-N-methylidenecarbamimidothioate is sourced from PubChem (CID 126629611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).