NS19504

CAT: 0127-BUP10866-04Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP10866-04Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

327062-46-4

Purity

=95%

Smiles

Nc1ncc(Cc2ccc(Br)cc2)s1

Chemical Information

5-(4-Bromobenzyl)-1,3-thiazol-2-amine

CAS Number	327062-46-4
PubChem CID	727750
IUPAC Name	5-[(4-bromophenyl)methyl]-1,3-thiazol-2-amine
Molecular Formula	C10H9BrN2S
Molecular Weight	269.16
XLogP	3.3
Topological Polar Surface Area	67.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	183

SMILES

C1=CC(=CC=C1CC2=CN=C(S2)N)Br

InChI

InChI=1S/C10H9BrN2S/c11-8-3-1-7(2-4-8)5-9-6-13-10(12)14-9/h1-4,6H,5H2,(H2,12,13)

InChIKey

HGWLTZOMQZIUBW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 327062-46-4

CID: 727750

Formula: C10H9BrN2S

MW: 269.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	269.16
XLogP3	3.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	267.96698
Monoisotopic Mass	267.96698
Topological Polar Surface Area	67.2 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	183
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