Home Halogens Ethyl 5-chloro-3-(methylthio)-1,2,4-triazine-6-carboxylate

Ethyl 5-chloro-3-(methylthio)-1,2,4-triazine-6-carboxylate

CAS No.:
75824-03-2
Catalog Number:
AG0034VO
Molecular Formula:
C7H8ClN3O2S
Molecular Weight:
233.6753
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$580
- +
1g
95%
1 week
United States
$1392
- +
Product Description
Catalog Number:
AG0034VO
Chemical Name:
Ethyl 5-chloro-3-(methylthio)-1,2,4-triazine-6-carboxylate
CAS Number:
75824-03-2
Molecular Formula:
C7H8ClN3O2S
Molecular Weight:
233.6753
MDL Number:
MFCD09953614
IUPAC Name:
ethyl 5-chloro-3-methylsulfanyl-1,2,4-triazine-6-carboxylate
InChI:
InChI=1S/C7H8ClN3O2S/c1-3-13-6(12)4-5(8)9-7(14-2)11-10-4/h3H2,1-2H3
InChI Key:
WXJHHRMJGBPYEG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nnc(nc1Cl)SC
Properties
Complexity:
207  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.003g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.67g/mol
Monoisotopic Mass:
233.003g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
90.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties