ethyl 2-amino-5-bromo-1,3-thiazole-4-carboxylate

ethyl 2-amino-5-bromo-1,3-thiazole-4-carboxylate

CAS: 61830-21-5

Formula: C6H7BrN2O2S

SMILES: CCOC(=O)C1=C(Br)SC(N)=N1

IUPAC: ethyl 2-amino-5-bromo-1,3-thiazole-4-carboxylate

InChI: InChI=1S/C6H7BrN2O2S/c1-2-11-5(10)3-4(7)12-6(8)9-3/h2H2,1H3,(H2,8,9)

Composition: C (28.70%), H (2.81%), Br (31.82%), N (11.16%), O (12.74%), S (12.77%)

Molar Mass: 251.1

Atom Count: 19

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	249.941162
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	TWGNDRMYYDZGFI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.62
Topological Polar Surface Area	65.21
Polarizability	18.75
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	61830-21-5		$20.18-$78.18$20.18$39.09$78.18