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Home Carboxys Methyl 1-cyclohexyl-5-(4-methylsulfanyl-phenyl)-1h-pyrazole-3-carboxylate

Methyl 1-cyclohexyl-5-(4-methylsulfanyl-phenyl)-1h-pyrazole-3-carboxylate

CAS No.:
346684-16-0
Catalog Number:
AG00CA31
Molecular Formula:
C18H22N2O2S
Molecular Weight:
330.4445
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
≥ 95% (HPLC)
1 week
United States
$148
- +
250mg
≥ 95% (HPLC)
1 week
United States
$235
- +
1g
≥ 95% (HPLC)
1 week
United States
$433
- +
5g
≥ 95% (HPLC)
1 week
United States
$1310
- +
Product Description
Catalog Number:
AG00CA31
Chemical Name:
Methyl 1-cyclohexyl-5-(4-methylsulfanyl-phenyl)-1h-pyrazole-3-carboxylate
CAS Number:
346684-16-0
Molecular Formula:
C18H22N2O2S
Molecular Weight:
330.4445
MDL Number:
MFCD04115087
IUPAC Name:
methyl 1-cyclohexyl-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylate
InChI:
InChI=1S/C18H22N2O2S/c1-22-18(21)16-12-17(13-8-10-15(23-2)11-9-13)20(19-16)14-6-4-3-5-7-14/h8-12,14H,3-7H2,1-2H3
InChI Key:
VWRRCWBPCLKKTA-UHFFFAOYSA-N
SMILES:
COC(=O)c1nn(c(c1)c1ccc(cc1)SC)C1CCCCC1
Properties
Complexity:
393  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.14g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.446g/mol
Monoisotopic Mass:
330.14g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Properties