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Compound EN300-1693702

CAT: 0931-TPL0437-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-TPL0437-01Size:200 mg
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CAS Number
115247-57-9
Bioactivity
Compound EN300-1693702, with CAS No. 115247-57-9, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound EN300-1693702 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.
Smiles
Br.Nc1nc-2c(Cc3ccccc-23)s1
Molecular Formula
C10H9BrN2S
Molecular Weight
269.161
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

8H-Indeno[1,2-d]thiazol-2-amine hydrobromide
CAS Number115247-57-9
PubChem CID18997027
IUPAC Name4H-indeno[1,2-d][1,3]thiazol-2-amine;hydrobromide
Molecular FormulaC10H9BrN2S
Molecular Weight269.16
Topological Polar Surface Area67.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count14
Formal Charge0
Complexity209
SMILES
C1C2=CC=CC=C2C3=C1SC(=N3)N.Br
InChI
InChI=1S/C10H8N2S.BrH/c11-10-12-9-7-4-2-1-3-6(7)5-8(9)13-10;/h1-4H,5H2,(H2,11,12);1H
InChIKey
SRVKQBGBAHVLEM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8H-Indeno[1,2-d]thiazol-2-amine hydrobromide
CAS: 115247-57-9
CID: 18997027
Formula: C10H9BrN2S
MW: 269.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight269.16
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass267.96698
Monoisotopic Mass267.96698
Topological Polar Surface Area67.2 Ų
Heavy Atom Count14
Formal Charge0
Complexity209
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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