2-({[4-(methylsulfanyl)phenyl]methyl}amino)propanoic acid

2-({[4-(methylsulfanyl)phenyl]methyl}amino)propanoic acid

Formula: C11H15NO2S

SMILES: CSC1=CC=C(CNC(C)C(O)=O)C=C1

IUPAC: 2-({[4-(methylsulfanyl)phenyl]methyl}amino)propanoic acid

InChI: InChI=1/C11H15NO2S/c1-8(11(13)14)12-7-9-3-5-10(15-2)6-4-9/h3-6,8,12H,7H2,1-2H3,(H,13,14)

Composition: C (58.64%), H (6.71%), N (6.22%), O (14.20%), S (14.23%)

Molar Mass: 225.31

Atom Count: 30

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	225.082349901
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	MWBPELQOBDYQSK-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.64
Topological Polar Surface Area	49.33
Polarizability	24.61
Ring Count	1
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C11H15NO2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00