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Home Other Building Blocks (5E)-2-Mercapto-5-[4-(methylthio)benzylidene]-1,3-thiazol-4(5h)-one

(5E)-2-Mercapto-5-[4-(methylthio)benzylidene]-1,3-thiazol-4(5h)-one

CAS No.:
127378-28-3
Catalog Number:
AG000X0K
Molecular Formula:
C11H9NOS3
Molecular Weight:
267.3903
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$129
- +
5g
95%
In Stock USA
United States
$316
- +
Product Description
Catalog Number:
AG000X0K
Chemical Name:
(5E)-2-Mercapto-5-[4-(methylthio)benzylidene]-1,3-thiazol-4(5h)-one
CAS Number:
127378-28-3
Molecular Formula:
C11H9NOS3
Molecular Weight:
267.3903
MDL Number:
MFCD04969043
IUPAC Name:
(5E)-5-[(4-methylsulfanylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C11H9NOS3/c1-15-8-4-2-7(3-5-8)6-9-10(13)12-11(14)16-9/h2-6H,1H3,(H,12,13,14)/b9-6+
InChI Key:
SEIFTQHMDCKSIB-RMKNXTFCSA-N
SMILES:
CSc1ccc(cc1)C=C1SC(=S)NC1=O
Properties
Complexity:
332  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
266.985g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
267.379g/mol
Monoisotopic Mass:
266.985g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties