Home Carbonyls (S)-2-Benzothiazolyl (z)-2-(2-aminothiazole-4-yl)-2-methoxycarbonylmethoxyiminothioacetate

(S)-2-Benzothiazolyl (z)-2-(2-aminothiazole-4-yl)-2-methoxycarbonylmethoxyiminothioacetate

CAS No.:
246035-38-1
Catalog Number:
AG002OQ4
Molecular Formula:
C15H12N4O4S3
Molecular Weight:
408.4752
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$351
- +
1g
95%
In Stock USA
United States
$937
- +
Product Description
Catalog Number:
AG002OQ4
Chemical Name:
(S)-2-Benzothiazolyl (z)-2-(2-aminothiazole-4-yl)-2-methoxycarbonylmethoxyiminothioacetate
CAS Number:
246035-38-1
Molecular Formula:
C15H12N4O4S3
Molecular Weight:
408.4752
MDL Number:
MFCD08704788
IUPAC Name:
methyl 2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-2-oxoethylidene]amino]oxyacetate
InChI:
InChI=1S/C15H12N4O4S3/c1-22-11(20)6-23-19-12(9-7-24-14(16)17-9)13(21)26-15-18-8-4-2-3-5-10(8)25-15/h2-5,7H,6H2,1H3,(H2,16,17)/b19-12-
InChI Key:
OAMJLTUHASKYSM-UNOMPAQXSA-N
SMILES:
COC(=O)CO/N=C(/c1csc(n1)N)\C(=O)Sc1nc2c(s1)cccc2
EC Number:
700-101-6
Properties
Complexity:
565  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
408.002g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
408.465g/mol
Monoisotopic Mass:
408.002g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
199A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Properties