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116457-37-5 | Acetamide, N-[5-[2-(ethylthio)ethyl]-1,3,4-thiadiazol-2-yl]-
CAS No: 116457-37-5 Catalog No: AG000CK3 MDL No:
Product Description
Catalog Number:
AG000CK3
Chemical Name:
Acetamide, N-[5-[2-(ethylthio)ethyl]-1,3,4-thiadiazol-2-yl]-
CAS Number:
116457-37-5
Molecular Formula:
C8H13N3OS2
Molecular Weight:
231.3383
IUPAC Name:
N-[5-(2-ethylsulfanylethyl)-1,3,4-thiadiazol-2-yl]acetamide
InChI:
InChI=1S/C8H13N3OS2/c1-3-13-5-4-7-10-11-8(14-7)9-6(2)12/h3-5H2,1-2H3,(H,9,11,12)
InChI Key:
LTASPUFPSUEUKF-UHFFFAOYSA-N
SMILES:
CCSCCc1nnc(s1)NC(=O)C
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.05g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.332g/mol
Monoisotopic Mass:
231.05g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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