N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-chloroacetamide

N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-chloroacetamide

CAS: 15777-44-3

Formula: C8H12ClN3OS

SMILES: CCCCC1=NN=C(NC(=O)CCl)S1

IUPAC: N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-chloroacetamide

InChI: InChI=1S/C8H12ClN3OS/c1-2-3-4-7-11-12-8(14-7)10-6(13)5-9/h2-5H2,1H3,(H,10,12,13)

Composition: C (41.11%), H (5.18%), Cl (15.17%), N (17.98%), O (6.85%), S (13.72%)

Molar Mass: 233.71

Atom Count: 26

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	233.0389609
Formal Charge	0
FSP3	0.62
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	SEJIXCOQUMLMFB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.75
Topological Polar Surface Area	54.88
Polarizability	21.39
Ring Count	1
Rotatable Bond Count	5

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