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Ethyl 4-amino-2-sulfanylpyrimidine-5-carboxylate

CAS No.:
774-07-2
Catalog Number:
AG003QD5
Molecular Formula:
C7H9N3O2S
Molecular Weight:
199.2303
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$25
- +
5g
98%
In Stock USA
United States
$100
- +
25g
98%
In Stock USA
United States
$350
- +
Product Description
Catalog Number:
AG003QD5
Chemical Name:
Ethyl 4-amino-2-sulfanylpyrimidine-5-carboxylate
CAS Number:
774-07-2
Molecular Formula:
C7H9N3O2S
Molecular Weight:
199.2303
MDL Number:
MFCD00023227
IUPAC Name:
ethyl 6-amino-2-sulfanylidene-1H-pyrimidine-5-carboxylate
InChI:
InChI=1S/C7H9N3O2S/c1-2-12-6(11)4-3-9-7(13)10-5(4)8/h3H,2H2,1H3,(H3,8,9,10,13)
InChI Key:
DKTWKRWWQKVQQB-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc(=S)[nH]c1N
NSC Number:
9308
Properties
Complexity:
309  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.042g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
199.228g/mol
Monoisotopic Mass:
199.042g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties