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5-Amino-2-chlorobenzothiazole

CAT: 0127-OR300771-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR300771-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
80945-82-0
MDL Number
MFCD11040282
Purity
98%
Smiles
Nc1ccc2sc(Cl)nc2c1

Chemical Information

2-Chloro-1,3-benzothiazol-5-amine
CAS Number80945-82-0
PubChem CID12350875
IUPAC Name2-chloro-1,3-benzothiazol-5-amine
Molecular FormulaC7H5ClN2S
Molecular Weight184.65
XLogP2.6
Topological Polar Surface Area67.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity155
SMILES
C1=CC2=C(C=C1N)N=C(S2)Cl
InChI
InChI=1S/C7H5ClN2S/c8-7-10-5-3-4(9)1-2-6(5)11-7/h1-3H,9H2
InChIKey
CTSXDZRWGMASOV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chloro-1,3-benzothiazol-5-amine
CAS: 80945-82-0
CID: 12350875
Formula: C7H5ClN2S
MW: 184.65
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight184.65
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass183.9861970
Monoisotopic Mass183.9861970
Topological Polar Surface Area67.2 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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