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82829-68-3 | Acetamide,N-[3-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl]-2-(methylthio)-
CAS No: 82829-68-3 Catalog No: AG004SMJ MDL No:
Product Description
Catalog Number:
AG004SMJ
Chemical Name:
Acetamide,N-[3-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl]-2-(methylthio)-
CAS Number:
82829-68-3
Molecular Formula:
C10H11N5OS2
Molecular Weight:
281.3572
IUPAC Name:
2-methylsulfanyl-N-[3-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]acetamide
InChI:
InChI=1S/C10H11N5OS2/c1-18-6-9(16)11-7-3-2-4-8(5-7)15-10(17)12-13-14-15/h2-5H,6H2,1H3,(H,11,16)(H,12,14,17)
InChI Key:
VCRZEYYYXXERGF-UHFFFAOYSA-N
SMILES:
CSCC(=O)Nc1cccc(c1)n1[nH]nnc1=S
EC Number:
280-049-4
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.041g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
281.352g/mol
Monoisotopic Mass:
281.041g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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