ethyl 2-(butylamino)-4-(chloromethyl)-1,3-thiazole-5-carboxylate

ethyl 2-(butylamino)-4-(chloromethyl)-1,3-thiazole-5-carboxylate

CAS: 937598-26-0

Formula: C11H17ClN2O2S

SMILES: CCCCNC1=NC(CCl)=C(S1)C(=O)OCC

IUPAC: ethyl 2-(butylamino)-4-(chloromethyl)-1,3-thiazole-5-carboxylate

InChI: InChI=1S/C11H17ClN2O2S/c1-3-5-6-13-11-14-8(7-12)9(17-11)10(15)16-4-2/h3-7H2,1-2H3,(H,13,14)

Composition: C (47.74%), H (6.19%), Cl (12.81%), N (10.12%), O (11.56%), S (11.58%)

Molar Mass: 276.78

Atom Count: 34

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	276.0699267
Formal Charge	0
FSP3	0.64
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	LYHGAFIRRZRYQM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	70.71
Topological Polar Surface Area	51.22
Polarizability	26.65
Ring Count	1
Rotatable Bond Count	8

Suppliers

Crea-Chim UAB

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	937598-26-0		$254.80$254.80