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VUF 8430 dihydrobromide

CAT: 0607-B7077-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-B7077-5Size:5 mg
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Description
histamine H4 receptor full agonist
CAS Number
100130-32-3
Product Name Alternative
2-((diaminomethylene)amino)ethyl carbamimidothioate dihydrobromide
Field of Research
Neuroscience Histamine Receptor
Purity
0.98
Form
Off-white solid
Solubility
<32.31mg/ml in H2O; <32.31mg/ml in DMSO
Smiles
N/C(N)=N\CCSC(N)=N.Br.Br
Molecular Formula
C4H11N5S·2HBr
Molecular Weight
323.05
Shipping Conditions
Blue ice
Storage Conditions
Desiccate at RT.

Chemical Information

Pseudourea, 2-(2-guanidinoethyl)-2-thio-, dihydrobromide
CAS Number100130-32-3
PubChem CID3063227
IUPAC Name2-(diaminomethylideneamino)ethyl carbamimidothioate;dihydrobromide
Molecular FormulaC4H13Br2N5S
Molecular Weight323.06
Topological Polar Surface Area140
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count12
Formal Charge0
Complexity139
SMILES
C(CSC(=N)N)N=C(N)N.Br.Br
InChI
InChI=1S/C4H11N5S.2BrH/c5-3(6)9-1-2-10-4(7)8;;/h1-2H2,(H3,7,8)(H4,5,6,9);2*1H
InChIKey
GPWJSTKHQMIXCA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pseudourea, 2-(2-guanidinoethyl)-2-thio-, dihydrobromide
CAS: 100130-32-3
CID: 3063227
Formula: C4H13Br2N5S
MW: 323.06
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight323.06
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass322.92379
Monoisotopic Mass320.92584
Topological Polar Surface Area140 Ų
Heavy Atom Count12
Formal Charge0
Complexity139
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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