ethyl 2-acetamido-4-(methylsulfanyl)butanoate

ethyl 2-acetamido-4-(methylsulfanyl)butanoate

CAS: 33280-93-2

Formula: C9H17NO3S

SMILES: CCOC(=O)C(CCSC)NC(C)=O

IUPAC: ethyl 2-acetamido-4-(methylsulfanyl)butanoate

InChI: InChI=1/C9H17NO3S/c1-4-13-9(12)8(5-6-14-3)10-7(2)11/h8H,4-6H2,1-3H3,(H,10,11)

Composition: C (49.29%), H (7.81%), N (6.39%), O (21.89%), S (14.62%)

Molar Mass: 219.3

Atom Count: 31

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	219.092914585
Formal Charge	0
FSP3	0.78
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	HWRSILOQIXCGQU-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.55
Topological Polar Surface Area	55.4
Polarizability	22.38
Ring Count	0
Rotatable Bond Count	7

Suppliers

Key Organics Ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	33280-93-2		$51.35-$674.07$51.35$63.37$86.31$143.12$225.06$674.07