3-(3,5-dimethyl-1,1-dioxo-2H-1??,2,6-thiadiazin-4-yl)propanoic acid

3-(3,5-dimethyl-1,1-dioxo-2H-1??,2,6-thiadiazin-4-yl)propanoic acid

CAS: 871548-26-4

Formula: C8H12N2O4S

SMILES: CC1=C(CCC(O)=O)C(C)=NS(=O)(=O)N1

IUPAC: 3-(3,5-dimethyl-1,1-dioxo-2H-1??,2,6-thiadiazin-4-yl)propanoic acid

InChI: InChI=1S/C8H12N2O4S/c1-5-7(3-4-8(11)12)6(2)10-15(13,14)9-5/h9H,3-4H2,1-2H3,(H,11,12)

Composition: C (41.37%), H (5.21%), N (12.06%), O (27.55%), S (13.80%)

Molar Mass: 232.25

Atom Count: 27

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	232.051778048
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	HPWIJDMLPLRDLN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.3
Topological Polar Surface Area	95.83
Polarizability	21.21
Ring Count	1
Rotatable Bond Count	3

Suppliers

MATRIX SCIENTIFIC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	871548-26-4		$404.27$404.27