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Compound Fr13809

CAT: 0013-GTR19269982-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269982-02Size:10 mg
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Description
Compound Fr13809, with CAS No. 1215372-00-1, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13809 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
CAS Number
1215372-00-1
Purity
97.06% (May vary between batches)
Smiles
Cl.Cl.NCc1cncs1
Molecular Formula
C4H8Cl2N2S
Molecular Weight
187.091
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Thiazol-5-ylmethanamine dihydrochloride
CAS Number1215372-00-1
PubChem CID49757586
IUPAC Name1,3-thiazol-5-ylmethanamine;dihydrochloride
Molecular FormulaC4H8Cl2N2S
Molecular Weight187.09
Topological Polar Surface Area67.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity57
SMILES
C1=C(SC=N1)CN.Cl.Cl
InChI
InChI=1S/C4H6N2S.2ClH/c5-1-4-2-6-3-7-4;;/h2-3H,1,5H2;2*1H
InChIKey
URVNRCYESACKMV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thiazol-5-ylmethanamine dihydrochloride
CAS: 1215372-00-1
CID: 49757586
Formula: C4H8Cl2N2S
MW: 187.09
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight187.09
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass185.9785248
Monoisotopic Mass185.9785248
Topological Polar Surface Area67.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity57.7
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