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

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

CAS: 205383-48-8

Formula: C6H8N2O2S

SMILES: CC1=NN=C(CCC(O)=O)S1

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

InChI: InChI=1S/C6H8N2O2S/c1-4-7-8-5(11-4)2-3-6(9)10/h2-3H2,1H3,(H,9,10)

Composition: C (41.85%), H (4.68%), N (16.27%), O (18.58%), S (18.62%)

Molar Mass: 172.2

Atom Count: 19

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	172.03064868
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	JPQRYIALQBCIFL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.16
Topological Polar Surface Area	63.08
Polarizability	15.2
Ring Count	1
Rotatable Bond Count	3

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