2-Bromothiazol-4-amine hydrobromide

CAT: 0926-FB153865-01Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-FB153865-01Size:0.5 g

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CAS Number

41731-35-5

Smiles

C1=C (N=C (S1) Br) N.Br

Molecular Formula

C3H4Br2N2S

Molecular Weight

259.95 g/mol

Controlled

Chemical Information

2-Bromo-1,3-thiazol-4-amine--hydrogen bromide (1/1)

CAS Number	41731-35-5
PubChem CID	20294041
IUPAC Name	2-bromo-1,3-thiazol-4-amine;hydrobromide
Molecular Formula	C3H4Br2N2S
Molecular Weight	259.95
Topological Polar Surface Area	67.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	70

SMILES

C1=C(N=C(S1)Br)N.Br

InChI

InChI=1S/C3H3BrN2S.BrH/c4-3-6-2(5)1-7-3;/h1H,5H2;1H

InChIKey

MRDKFGRRIBRLBH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 41731-35-5

CID: 20294041

Formula: C3H4Br2N2S

MW: 259.95

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	259.95
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	259.84415
Monoisotopic Mass	257.84619
Topological Polar Surface Area	67.2 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	70
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	2
Compound Is Canonicalized	Yes

Catalog	Name
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