amino-[2-[aminocarbamothioyl(methyl)amino]ethyl]-carbamothioyl-methylazanium

C6H17N6S2+ — CID 21148822

IUPACamino-[2-[aminocarbamothioyl(methyl)amino]ethyl]-carbamothioyl-methylazanium
SMILESCN(CC[N+](C)(N)C(N)=S)C(=S)NN
InChIInChI=1S/C6H16N6S2/c1-11(6(14)10-8)3-4-12(2,9)5(7)13/h3-4,8-9H2,1-2H3,(H2-,7,10,13,14)/p+1
InChIKeyYIDUXFNMVYBRFK-UHFFFAOYSA-O
MW237.38 g/mol
LogP-1.77
Rot. Bonds3

About amino-[2-[aminocarbamothioyl(methyl)amino]ethyl]-carbamothioyl-methylazanium

amino-[2-[aminocarbamothioyl(methyl)amino]ethyl]-carbamothioyl-methylazanium (PubChem CID 21148822) has the molecular formula C6H17N6S2+ and a molecular weight of 237.38 g/mol. Its IUPAC name is amino-[2-[aminocarbamothioyl(methyl)amino]ethyl]-carbamothioyl-methylazanium.

Molecular Properties

Compound Nameamino-[2-[aminocarbamothioyl(methyl)amino]ethyl]-carbamothioyl-methylazanium
PubChem CID21148822
Molecular FormulaC6H17N6S2+
Molecular Weight237.38 g/mol
Exact Mass237.10
IUPAC Nameamino-[2-[aminocarbamothioyl(methyl)amino]ethyl]-carbamothioyl-methylazanium
SMILESCN(CC[N+](C)(N)C(N)=S)C(=S)NN
InChIInChI=1S/C6H16N6S2/c1-11(6(14)10-8)3-4-12(2,9)5(7)13/h3-4,8-9H2,1-2H3,(H2-,7,10,13,14)/p+1
InChIKeyYIDUXFNMVYBRFK-UHFFFAOYSA-O
XLogP-1.77
TPSA93.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.38
LogP ≤ 5-1.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino-[2-[aminocarbamothioyl(methyl)amino]ethyl]-carbamothioyl-methylazanium?
The IUPAC name of amino-[2-[aminocarbamothioyl(methyl)amino]ethyl]-carbamothioyl-methylazanium (CID 21148822) is amino-[2-[aminocarbamothioyl(methyl)amino]ethyl]-carbamothioyl-methylazanium.
What is the SMILES notation for amino-[2-[aminocarbamothioyl(methyl)amino]ethyl]-carbamothioyl-methylazanium?
The canonical SMILES for amino-[2-[aminocarbamothioyl(methyl)amino]ethyl]-carbamothioyl-methylazanium is CN(CC[N+](C)(N)C(N)=S)C(=S)NN.
What is the InChIKey of amino-[2-[aminocarbamothioyl(methyl)amino]ethyl]-carbamothioyl-methylazanium?
The InChIKey is YIDUXFNMVYBRFK-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H16N6S2/c1-11(6(14)10-8)3-4-12(2,9)5(7)13/h3-4,8-9H2,1-2H3,(H2-,7,10,13,14)/p+1.
What are the key properties of amino-[2-[aminocarbamothioyl(methyl)amino]ethyl]-carbamothioyl-methylazanium?
amino-[2-[aminocarbamothioyl(methyl)amino]ethyl]-carbamothioyl-methylazanium has a molecular weight of 237.38 g/mol, XLogP of -1.77, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[2-[aminocarbamothioyl(methyl)amino]ethyl]-carbamothioyl-methylazanium is sourced from PubChem (CID 21148822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).