bis([amino(2-aminoethylsulfanyl)methylidene]azanium) dibromide

C6H20Br2N6S2 — CID 23616116

IUPACbis([amino(2-aminoethylsulfanyl)methylidene]azanium) dibromide
SMILESNCCSC(N)=[NH2+].NCCSC(N)=[NH2+].[Br-].[Br-]
InChIInChI=1S/2C3H9N3S.2BrH/c2*4-1-2-7-3(5)6;;/h2*1-2,4H2,(H3,5,6);2*1H
InChIKeyUFYVYFAWPIWGNJ-UHFFFAOYSA-N
MW400.21 g/mol
LogP-10.49
Rot. Bonds4

About bis([amino(2-aminoethylsulfanyl)methylidene]azanium) dibromide

bis([amino(2-aminoethylsulfanyl)methylidene]azanium) dibromide (PubChem CID 23616116) has the molecular formula C6H20Br2N6S2 and a molecular weight of 400.21 g/mol. Its IUPAC name is bis([amino(2-aminoethylsulfanyl)methylidene]azanium) dibromide.

Molecular Properties

Compound Namebis([amino(2-aminoethylsulfanyl)methylidene]azanium) dibromide
PubChem CID23616116
Molecular FormulaC6H20Br2N6S2
Molecular Weight400.21 g/mol
Exact Mass397.96
IUPAC Namebis([amino(2-aminoethylsulfanyl)methylidene]azanium) dibromide
SMILESNCCSC(N)=[NH2+].NCCSC(N)=[NH2+].[Br-].[Br-]
InChIInChI=1S/2C3H9N3S.2BrH/c2*4-1-2-7-3(5)6;;/h2*1-2,4H2,(H3,5,6);2*1H
InChIKeyUFYVYFAWPIWGNJ-UHFFFAOYSA-N
XLogP-10.49
TPSA155.26 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.21
LogP ≤ 5-10.49
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze bis([amino(2-aminoethylsulfanyl)methylidene]azanium) dibromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis([amino(2-aminoethylsulfanyl)methylidene]azanium) dibromide?
The IUPAC name of bis([amino(2-aminoethylsulfanyl)methylidene]azanium) dibromide (CID 23616116) is bis([amino(2-aminoethylsulfanyl)methylidene]azanium) dibromide.
What is the SMILES notation for bis([amino(2-aminoethylsulfanyl)methylidene]azanium) dibromide?
The canonical SMILES for bis([amino(2-aminoethylsulfanyl)methylidene]azanium) dibromide is NCCSC(N)=[NH2+].NCCSC(N)=[NH2+].[Br-].[Br-].
What is the InChIKey of bis([amino(2-aminoethylsulfanyl)methylidene]azanium) dibromide?
The InChIKey is UFYVYFAWPIWGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H9N3S.2BrH/c2*4-1-2-7-3(5)6;;/h2*1-2,4H2,(H3,5,6);2*1H.
What are the key properties of bis([amino(2-aminoethylsulfanyl)methylidene]azanium) dibromide?
bis([amino(2-aminoethylsulfanyl)methylidene]azanium) dibromide has a molecular weight of 400.21 g/mol, XLogP of -10.49, 4 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis([amino(2-aminoethylsulfanyl)methylidene]azanium) dibromide is sourced from PubChem (CID 23616116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).