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CCF-642

CAS No.:
346640-08-2
Catalog Number:
AG00C6L0
Molecular Formula:
C15H10N2O4S3
Molecular Weight:
378.4459
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
2mg
98%
1 week
United States
$126
- +
5mg
98%
1 week
United States
$182
- +
10mg
98%
1 week
United States
$230
- +
25mg
98%
1 week
United States
$404
- +
50mg
98%
1 week
United States
$682
- +
100mg
98%
1 week
United States
$960
- +
Product Description
Catalog Number:
AG00C6L0
Chemical Name:
CCF-642
CAS Number:
346640-08-2
Molecular Formula:
C15H10N2O4S3
Molecular Weight:
378.4459
MDL Number:
MFCD01836919
IUPAC Name:
(5E)-3-(4-methoxyphenyl)-5-[(5-nitrothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C15H10N2O4S3/c1-21-10-4-2-9(3-5-10)16-14(18)12(24-15(16)22)8-11-6-7-13(23-11)17(19)20/h2-8H,1H3/b12-8+
InChI Key:
SPYIETQLOVDJCF-XYOKQWHBSA-N
SMILES:
COc1ccc(cc1)N1C(=S)SC(=Cc2ccc(s2)[N+](=O)[O-])C1=O
Properties
Complexity:
570  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
377.98g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
378.435g/mol
Monoisotopic Mass:
377.98g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
161A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  
Properties