Home Carboxys 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid

2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid

CAS No.:
144060-53-7
Catalog Number:
AG0037QU
Molecular Formula:
C16H16N2O3S
Molecular Weight:
316.3748
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$19
- +
5g
98%
In Stock USA
United States
$50
- +
25g
98%
In Stock USA
United States
$150
- +
100g
98%
In Stock USA
United States
$375
- +
Product Description
Catalog Number:
AG0037QU
Chemical Name:
2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CAS Number:
144060-53-7
Molecular Formula:
C16H16N2O3S
Molecular Weight:
316.3748
MDL Number:
MFCD00871598
IUPAC Name:
2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C16H16N2O3S/c1-9(2)8-21-13-5-4-11(6-12(13)7-17)15-18-10(3)14(22-15)16(19)20/h4-6,9H,8H2,1-3H3,(H,19,20)
InChI Key:
BQSJTQLCZDPROO-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1OCC(C)C)c1nc(c(s1)C(=O)O)C
UNII:
101V0R1N2E
NSC Number:
758874
Properties
Complexity:
448  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.088g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
316.375g/mol
Monoisotopic Mass:
316.088g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Literature
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Properties