5-Bromo-2-iodobenzothiazole

CAT: 0127-OR1080746-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1080746-01Size:250 mg

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CAS Number

1175278-25-7

Purity

97%

Smiles

Ic1sc2c (n1) cc (Br) cc2

Chemical Information

5-Bromo-2-iodo-1,3-benzothiazole

CAS Number	1175278-25-7
PubChem CID	67521227
IUPAC Name	5-bromo-2-iodo-1,3-benzothiazole
Molecular Formula	C7H3BrINS
Molecular Weight	339.98
XLogP	3.8
Topological Polar Surface Area	41.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	157

SMILES

C1=CC2=C(C=C1Br)N=C(S2)I

InChI

InChI=1S/C7H3BrINS/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H

InChIKey

HFKFVSKHOWYRQN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1175278-25-7

CID: 67521227

Formula: C7H3BrINS

MW: 339.98

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	339.98
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	338.82143
Monoisotopic Mass	338.82143
Topological Polar Surface Area	41.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	157
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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