methyl 2-amino-4-(methylsulfanyl)butanoate chloride

methyl 2-amino-4-(methylsulfanyl)butanoate chloride

CAS: 2491-18-1

Formula: C6H13ClNO2S

SMILES: [Cl-].COC(=O)C(N)CCSC

IUPAC: methyl 2-amino-4-(methylsulfanyl)butanoate chloride

InChI: InChI=1/C6H13NO2S.ClH/c1-9-6(8)5(7)3-4-10-2;/h5H,3-4,7H2,1-2H3;1H/p-1

Composition: C (36.27%), H (6.60%), Cl (17.84%), N (7.05%), O (16.10%), S (16.14%)

Molar Mass: 198.69

Atom Count: 24

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	198.0361011
Formal Charge	-1
FSP3	0.83
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	MEVUPUNLVKELNV-UHFFFAOYNA-M
Lipinski's Rule of Five	1
Molar Refractivity	42.36
Topological Polar Surface Area	52.32
Polarizability	17.15
Ring Count	0
Rotatable Bond Count	5

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