2-(benzylamino)-1,3-thiazole-5-carboxylic acid

2-(benzylamino)-1,3-thiazole-5-carboxylic acid

CAS: 342405-23-6

Formula: C11H10N2O2S

SMILES: OC(=O)C1=CN=C(NCC2=CC=CC=C2)S1

IUPAC: 2-(benzylamino)-1,3-thiazole-5-carboxylic acid

InChI: InChI=1S/C11H10N2O2S/c14-10(15)9-7-13-11(16-9)12-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,12,13)(H,14,15)

Composition: C (56.40%), H (4.30%), N (11.96%), O (13.66%), S (13.68%)

Molar Mass: 234.27

Atom Count: 26

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	234.046298744
Formal Charge	0
FSP3	0.09
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	REVWBJBCAIBQGE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.59
Topological Polar Surface Area	62.22
Polarizability	23.06
Ring Count	2
Rotatable Bond Count	4

Suppliers

Struchem co.,ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	342405-23-6		$1,300.00-$2,200.00$1,300.00$2,200.00