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Home Halogens Ethyl 4-chloro-2-methylthio-5-pyrimidinecarboxylate

Ethyl 4-chloro-2-methylthio-5-pyrimidinecarboxylate

CAS No.:
5909-24-0
Catalog Number:
AG00371D
Molecular Formula:
C8H9ClN2O2S
Molecular Weight:
232.6873
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
97%
In Stock USA
United States
$13
- +
25g
97%
In Stock USA
United States
$32
- +
100g
97%
In Stock USA
United States
$100
- +
500g
97%
In Stock USA
United States
$382
- +
Product Description
Catalog Number:
AG00371D
Chemical Name:
Ethyl 4-chloro-2-methylthio-5-pyrimidinecarboxylate
CAS Number:
5909-24-0
Molecular Formula:
C8H9ClN2O2S
Molecular Weight:
232.6873
MDL Number:
MFCD00006085
IUPAC Name:
ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate
InChI:
InChI=1S/C8H9ClN2O2S/c1-3-13-7(12)5-4-10-8(14-2)11-6(5)9/h4H,3H2,1-2H3
InChI Key:
SNNHLSHDDGJVDM-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc(nc1Cl)SC
EC Number:
227-619-0
NSC Number:
123534
Properties
Complexity:
206  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.007g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.682g/mol
Monoisotopic Mass:
232.007g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
77.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
Occupational allergic contact dermatitis in a chemist. Contact dermatitis 20090401
Allergic contact dermatitis from 4-chloro-2-[methylthio]pyrimidine-5-carboxylic acid ethyl ester and methyl 4-hydroxy-2-hexynoate in a laboratory chemist. Contact dermatitis 20080201
Properties