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Rbin-1

CAS No.:
328023-11-6
Catalog Number:
AG00CJG7
Molecular Formula:
C13H12N4S
Molecular Weight:
256.3262
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$161
- +
5mg
≥98%
1 week
United States
$500
- +
10mg
99%
1 week
United States
$751
- +
25mg
99%
1 week
United States
$1446
- +
50mg
99%
1 week
United States
$2140
- +
100mg
99%
1 week
United States
$2973
- +
Product Description
Catalog Number:
AG00CJG7
Chemical Name:
Rbin-1
CAS Number:
328023-11-6
Molecular Formula:
C13H12N4S
Molecular Weight:
256.3262
MDL Number:
MFCD02369534
IUPAC Name:
3-(2-methylprop-2-enylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole
InChI:
InChI=1S/C13H12N4S/c1-8(2)7-18-13-15-12-11(16-17-13)9-5-3-4-6-10(9)14-12/h3-6H,1,7H2,2H3,(H,14,15,17)
InChI Key:
LPCWHNSRTRBKBO-UHFFFAOYSA-N
SMILES:
CC(=C)CSc1nnc2c(n1)[nH]c1c2cccc1
Properties
Complexity:
322  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.078g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
256.327g/mol
Monoisotopic Mass:
256.078g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties