3-amino-3-(3-methylthiophen-2-yl)propanoic acid

3-amino-3-(3-methylthiophen-2-yl)propanoic acid

CAS: 682802-96-6

Formula: C8H11NO2S

SMILES: CC1=C(SC=C1)C(N)CC(O)=O

IUPAC: 3-amino-3-(3-methylthiophen-2-yl)propanoic acid

InChI: InChI=1/C8H11NO2S/c1-5-2-3-12-8(5)6(9)4-7(10)11/h2-3,6H,4,9H2,1H3,(H,10,11)

Composition: C (51.87%), H (5.99%), N (7.56%), O (17.27%), S (17.31%)

Molar Mass: 185.24

Atom Count: 23

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	185.051049772
Formal Charge	0
FSP3	0.37
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	PXTDRMAWCZZRKO-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.92
Topological Polar Surface Area	63.32
Polarizability	18.34
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	682802-96-6		$2,200.00-$3,740.00$2,200.00$2,860.00$3,740.00