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Home Other Building Blocks (5E)-2-Mercapto-5-(3-methylbenzylidene)-1,3-thiazol-4(5h)-one

(5E)-2-Mercapto-5-(3-methylbenzylidene)-1,3-thiazol-4(5h)-one

CAS No.:
127378-26-1
Catalog Number:
AG000X0L
Molecular Formula:
C11H9NOS2
Molecular Weight:
235.3253
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:
AG000X0L
Chemical Name:
(5E)-2-Mercapto-5-(3-methylbenzylidene)-1,3-thiazol-4(5h)-one
CAS Number:
127378-26-1
Molecular Formula:
C11H9NOS2
Molecular Weight:
235.3253
MDL Number:
MFCD04969041
IUPAC Name:
(5E)-5-[(3-methylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C11H9NOS2/c1-7-3-2-4-8(5-7)6-9-10(13)12-11(14)15-9/h2-6H,1H3,(H,12,13,14)/b9-6+
InChI Key:
NTFGFSORFHWWPQ-RMKNXTFCSA-N
SMILES:
S=C1NC(=O)C(=Cc2cccc(c2)C)S1
Properties
Complexity:
325  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
235.013g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
235.319g/mol
Monoisotopic Mass:
235.013g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
86.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties