Home Other Building Blocks CBR-5884

CBR-5884

CAS No.:
681159-27-3
Catalog Number:
AG00FC2G
Molecular Formula:
C14H12N2O4S2
Molecular Weight:
336.3861
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$91
- +
5mg
≥98%
1 week
United States
$153
- +
10mg
99%
1 week
United States
$223
- +
25mg
99%
1 week
United States
$407
- +
50mg
99%
1 week
United States
$673
- +
100mg
99%
1 week
United States
$1157
- +
Product Description
Catalog Number:
AG00FC2G
Chemical Name:
CBR-5884
CAS Number:
681159-27-3
Molecular Formula:
C14H12N2O4S2
Molecular Weight:
336.3861
MDL Number:
MFCD04451442
IUPAC Name:
ethyl 5-(furan-2-carbonylamino)-3-methyl-4-thiocyanatothiophene-2-carboxylate
InChI:
InChI=1S/C14H12N2O4S2/c1-3-19-14(18)11-8(2)10(21-7-15)13(22-11)16-12(17)9-5-4-6-20-9/h4-6H,3H2,1-2H3,(H,16,17)
InChI Key:
QBVIRPJBDIZKBC-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1sc(c(c1C)SC#N)NC(=O)c1ccco1
Properties
Complexity:
479  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.024g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
336.38g/mol
Monoisotopic Mass:
336.024g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties