2-[(4-methyl-1,2,3-thiadiazol-5-yl)sulfanyl]propanoic acid

2-[(4-methyl-1,2,3-thiadiazol-5-yl)sulfanyl]propanoic acid

CAS: 338408-48-3

Formula: C6H8N2O2S2

SMILES: CC(SC1=C(C)N=NS1)C(O)=O

IUPAC: 2-[(4-methyl-1,2,3-thiadiazol-5-yl)sulfanyl]propanoic acid

InChI: InChI=1/C6H8N2O2S2/c1-3-6(12-8-7-3)11-4(2)5(9)10/h4H,1-2H3,(H,9,10)

Composition: C (35.28%), H (3.95%), N (13.71%), O (15.67%), S (31.39%)

Molar Mass: 204.26

Atom Count: 20

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	204.002719854
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	JFZLTSZKHXCPCB-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.59
Topological Polar Surface Area	63.08
Polarizability	18.28
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	338408-48-3		$51.35-$524.40$51.35$63.37$86.31$524.40