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Compound EN300-179625

CAT: 0931-TPL0429-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-TPL0429-01Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2941-48-2
Bioactivity
Compound EN300-179625, with CAS No. 2941-48-2, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound EN300-179625 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
Clc1nc2cc(Cl)ccc2s1
Molecular Formula
C7H3Cl2NS
Molecular Weight
204.07
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2,5-Dichloro-1,3-benzothiazole
CAS Number2941-48-2
PubChem CID13314816
IUPAC Name2,5-dichloro-1,3-benzothiazole
Molecular FormulaC7H3Cl2NS
Molecular Weight204.08
XLogP4.2
Topological Polar Surface Area41.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity155
SMILES
C1=CC2=C(C=C1Cl)N=C(S2)Cl
InChI
InChI=1S/C7H3Cl2NS/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H
InChIKey
LHUHAARPMJISMM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,5-Dichloro-1,3-benzothiazole
CAS: 2941-48-2
CID: 13314816
Formula: C7H3Cl2NS
MW: 204.08
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight204.08
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass202.9363257
Monoisotopic Mass202.9363257
Topological Polar Surface Area41.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity155
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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