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30342-90-6 | Acetamide, N-(1,5-dihydro-3-methyl-5-thioxo-4H-1,2,4-triazol-4-yl)-
CAS No: 30342-90-6 Catalog No: AG002ZSU MDL No:
Product Description
Catalog Number:
AG002ZSU
Chemical Name:
Acetamide, N-(1,5-dihydro-3-methyl-5-thioxo-4H-1,2,4-triazol-4-yl)-
CAS Number:
30342-90-6
Molecular Formula:
C5H8N4OS
Molecular Weight:
172.2082
IUPAC Name:
N-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide
InChI:
InChI=1S/C5H8N4OS/c1-3-6-7-5(11)9(3)8-4(2)10/h1-2H3,(H,7,11)(H,8,10)
InChI Key:
ONCZGQMOFHSTAI-UHFFFAOYSA-N
SMILES:
CC(=O)Nn1c(C)n[nH]c1=S
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.042g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
172.206g/mol
Monoisotopic Mass:
172.042g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
88.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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