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

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

CAS: 81569-46-2

Formula: C7H8BrNO2S

SMILES: CCC1=C(N=C(Br)S1)C(=O)OC

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

InChI: InChI=1S/C7H8BrNO2S/c1-3-4-5(6(10)11-2)9-7(8)12-4/h3H2,1-2H3

Composition: C (33.62%), H (3.22%), Br (31.95%), N (5.60%), O (12.79%), S (12.82%)

Molar Mass: 250.11

Atom Count: 20

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	248.945913
Formal Charge	0
FSP3	0.43
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	YVZQQKSGEFCXLI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.12
Topological Polar Surface Area	39.19
Polarizability	19.33
Ring Count	1
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	81569-46-2		$24.84-$716.22$24.84$38.30$64.17$107.64$385.02$716.22

LabNetwork INC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	1 Day	81569-46-2		$638.55$638.55