methyl N-(dimethylamino)-N,N'-dimethylcarbamimidothioate

C6H15N3S — CID 20684887

IUPACmethyl N-(dimethylamino)-N,N'-dimethylcarbamimidothioate
SMILESC/N=C(\SC)N(C)N(C)C
InChIInChI=1S/C6H15N3S/c1-7-6(10-5)9(4)8(2)3/h1-5H3/b7-6-
InChIKeyPZNZUGOYSLKUOM-SREVYHEPSA-N
MW161.27 g/mol
LogP0.74
Rot. Bonds1

About methyl N-(dimethylamino)-N,N'-dimethylcarbamimidothioate

methyl N-(dimethylamino)-N,N'-dimethylcarbamimidothioate (PubChem CID 20684887) has the molecular formula C6H15N3S and a molecular weight of 161.27 g/mol. Its IUPAC name is methyl N-(dimethylamino)-N,N'-dimethylcarbamimidothioate.

Molecular Properties

Compound Namemethyl N-(dimethylamino)-N,N'-dimethylcarbamimidothioate
PubChem CID20684887
Molecular FormulaC6H15N3S
Molecular Weight161.27 g/mol
Exact Mass161.10
IUPAC Namemethyl N-(dimethylamino)-N,N'-dimethylcarbamimidothioate
SMILESC/N=C(\SC)N(C)N(C)C
InChIInChI=1S/C6H15N3S/c1-7-6(10-5)9(4)8(2)3/h1-5H3/b7-6-
InChIKeyPZNZUGOYSLKUOM-SREVYHEPSA-N
XLogP0.74
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 50.74
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,N'-dimethylcarbamimidothioate?
The IUPAC name of methyl N-(dimethylamino)-N,N'-dimethylcarbamimidothioate (CID 20684887) is methyl N-(dimethylamino)-N,N'-dimethylcarbamimidothioate.
What is the SMILES notation for methyl N-(dimethylamino)-N,N'-dimethylcarbamimidothioate?
The canonical SMILES for methyl N-(dimethylamino)-N,N'-dimethylcarbamimidothioate is C/N=C(\SC)N(C)N(C)C.
What is the InChIKey of methyl N-(dimethylamino)-N,N'-dimethylcarbamimidothioate?
The InChIKey is PZNZUGOYSLKUOM-SREVYHEPSA-N. The full InChI is InChI=1S/C6H15N3S/c1-7-6(10-5)9(4)8(2)3/h1-5H3/b7-6-.
What are the key properties of methyl N-(dimethylamino)-N,N'-dimethylcarbamimidothioate?
methyl N-(dimethylamino)-N,N'-dimethylcarbamimidothioate has a molecular weight of 161.27 g/mol, XLogP of 0.74, 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,N'-dimethylcarbamimidothioate is sourced from PubChem (CID 20684887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).