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90311-60-7

90311-60-7 | Acetamide, N-(3-butyl-3,5-dihydro-5-thioxo-4H-1,2,4-triazol-4-yl)-

CAS No: 90311-60-7 Catalog No: AG006FWK MDL No:

Product Description

Catalog Number:
AG006FWK
Chemical Name:
Acetamide, N-(3-butyl-3,5-dihydro-5-thioxo-4H-1,2,4-triazol-4-yl)-
CAS Number:
90311-60-7
Molecular Formula:
C8H14N4OS
Molecular Weight:
214.2880
IUPAC Name:
N-(3-butyl-5-sulfanylidene-3H-1,2,4-triazol-4-yl)acetamide
InChI:
InChI=1S/C8H14N4OS/c1-3-4-5-7-9-10-8(14)12(7)11-6(2)13/h7H,3-5H2,1-2H3,(H,11,13)
InChI Key:
OWHKJNZKSJXHNP-UHFFFAOYSA-N
SMILES:
CCCCC1N=NC(=S)N1NC(=O)C

Properties

Complexity:
266  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.089g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
214.287g/mol
Monoisotopic Mass:
214.089g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
89.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

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