1-[6-chloro-2-(methylsulfanyl)pyrimidin-4-yl]azetidine-3-carboxylic acid

1-[6-chloro-2-(methylsulfanyl)pyrimidin-4-yl]azetidine-3-carboxylic acid

CAS: 1289384-70-8

Formula: C9H10ClN3O2S

SMILES: CSC1=NC(Cl)=CC(=N1)N1CC(C1)C(O)=O

IUPAC: 1-[6-chloro-2-(methylsulfanyl)pyrimidin-4-yl]azetidine-3-carboxylic acid

InChI: InChI=1S/C9H10ClN3O2S/c1-16-9-11-6(10)2-7(12-9)13-3-5(4-13)8(14)15/h2,5H,3-4H2,1H3,(H,14,15)

Composition: C (41.62%), H (3.88%), Cl (13.65%), N (16.18%), O (12.32%), S (12.34%)

Molar Mass: 259.71

Atom Count: 26

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	259.0182254
Formal Charge	0
FSP3	0.44
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	JEMXWXHBKMKHBF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.91
Topological Polar Surface Area	66.32
Polarizability	23.82
Ring Count	2
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	1289384-70-8		$181.13-$308.43$181.13$308.43

LabNetwork INC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	1 Day	1289384-70-8		$270.00$270.00