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78429-98-8 | Acetamide,2-chloro-N-[5-(methylthio)-1,2,4-thiadiazol-3-yl]-
CAS No: 78429-98-8 Catalog No: AG0053J0 MDL No:MFCD06658063
Product Description
Catalog Number:
AG0053J0
Chemical Name:
Acetamide,2-chloro-N-[5-(methylthio)-1,2,4-thiadiazol-3-yl]-
CAS Number:
78429-98-8
Molecular Formula:
C5H6ClN3OS2
Molecular Weight:
223.7036
MDL Number:
MFCD06658063
IUPAC Name:
2-chloro-N-(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)acetamide
InChI:
InChI=1S/C5H6ClN3OS2/c1-11-5-8-4(9-12-5)7-3(10)2-6/h2H2,1H3,(H,7,9,10)
InChI Key:
UWBBMLMYQAUXAR-UHFFFAOYSA-N
SMILES:
ClCC(=O)Nc1nsc(n1)SC
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.964g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.693g/mol
Monoisotopic Mass:
222.964g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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