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(S)-(+)-Dbd-py-ncs

CAS No.:
163927-32-0
Catalog Number:
AG003CHR
Molecular Formula:
C13H15N5O3S2
Molecular Weight:
353.4199
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
>98.0%(HPLC)
1 week
United States
$527
- +
Product Description
Catalog Number:
AG003CHR
Chemical Name:
(S)-(+)-Dbd-py-ncs
CAS Number:
163927-32-0
Molecular Formula:
C13H15N5O3S2
Molecular Weight:
353.4199
MDL Number:
MFCD00792588
IUPAC Name:
7-[(3S)-3-isothiocyanatopyrrolidin-1-yl]-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
InChI:
InChI=1S/C13H15N5O3S2/c1-17(2)23(19,20)11-4-3-10(12-13(11)16-21-15-12)18-6-5-9(7-18)14-8-22/h3-4,9H,5-7H2,1-2H3/t9-/m0/s1
InChI Key:
YMXYIIXTKUQWPC-VIFPVBQESA-N
SMILES:
S=C=N[C@H]1CCN(C1)c1ccc(c2c1non2)S(=O)(=O)N(C)C
Properties
Complexity:
587  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
353.062g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
353.415g/mol
Monoisotopic Mass:
353.062g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties