Home Sulfos BCX 1470 methanesulfonate

BCX 1470 methanesulfonate

CAS No.:
217099-44-0
Catalog Number:
AG00BF2B
Molecular Formula:
C15H14N2O5S3
Molecular Weight:
398.4771
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$640
- +
10mg
99%
1 week
United States
$973
- +
Product Description
Catalog Number:
AG00BF2B
Chemical Name:
BCX 1470 methanesulfonate
CAS Number:
217099-44-0
Molecular Formula:
C15H14N2O5S3
Molecular Weight:
398.4771
MDL Number:
MFCD13185133
IUPAC Name:
(2-carbamimidoyl-1-benzothiophen-6-yl) thiophene-2-carboxylate;methanesulfonic acid
InChI:
InChI=1S/C14H10N2O2S2.CH4O3S/c15-13(16)12-6-8-3-4-9(7-11(8)20-12)18-14(17)10-2-1-5-19-10;1-5(2,3)4/h1-7H,(H3,15,16);1H3,(H,2,3,4)
InChI Key:
MCPAUXMAIOICMC-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)O.NC(=N)c1cc2c(s1)cc(cc2)OC(=O)c1cccs1
Properties
Complexity:
497  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.006g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
398.466g/mol
Monoisotopic Mass:
398.006g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
195A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties