3-(2-carboxyethyl)-5-hydroxy-2-methyl-1,3-benzothiazol-3-ium

3-(2-carboxyethyl)-5-hydroxy-2-methyl-1,3-benzothiazol-3-ium

Formula: C11H12NO3S

SMILES: CC1=[N+](CCC(O)=O)C2=CC(O)=CC=C2S1

IUPAC: 3-(2-carboxyethyl)-5-hydroxy-2-methyl-1,3-benzothiazol-3-ium

InChI: InChI=1S/C11H11NO3S/c1-7-12(5-4-11(14)15)9-6-8(13)2-3-10(9)16-7/h2-3,6H,4-5H2,1H3,(H-,13,14,15)/p+1

Composition: C (55.45%), H (5.08%), N (5.88%), O (20.14%), S (13.45%)

Molar Mass: 238.28

Atom Count: 28

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	238.053240845
Formal Charge	1
FSP3	0.27
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	WASHAFQBJKJFRU-UHFFFAOYSA-O
Lipinski's Rule of Five	1
Molar Refractivity	70.29
Topological Polar Surface Area	61.41
Polarizability	24.31
Ring Count	2
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C11H12NO3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00