ethyl 4-(chloromethyl)-2-[(3-methoxypropyl)amino]-1,3-thiazole-5-carboxylate

ethyl 4-(chloromethyl)-2-[(3-methoxypropyl)amino]-1,3-thiazole-5-carboxylate

CAS: 937598-24-8

Formula: C11H17ClN2O3S

SMILES: CCOC(=O)C1=C(CCl)N=C(NCCCOC)S1

IUPAC: ethyl 4-(chloromethyl)-2-[(3-methoxypropyl)amino]-1,3-thiazole-5-carboxylate

InChI: InChI=1S/C11H17ClN2O3S/c1-3-17-10(15)9-8(7-12)14-11(18-9)13-5-4-6-16-2/h3-7H2,1-2H3,(H,13,14)

Composition: C (45.13%), H (5.85%), Cl (12.11%), N (9.57%), O (16.39%), S (10.95%)

Molar Mass: 292.78

Atom Count: 35

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	292.0648413
Formal Charge	0
FSP3	0.64
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	JDUDZTRJYORJDE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.75
Topological Polar Surface Area	60.45
Polarizability	27.4
Ring Count	1
Rotatable Bond Count	9

Suppliers

Crea-Chim UAB

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	937598-24-8		$254.80$254.80