Home Carboxys 2,4-Bis(methylsulfanyl)pyrimidine-5-carboxylic acid

2,4-Bis(methylsulfanyl)pyrimidine-5-carboxylic acid

CAS No.:
6299-27-0
Catalog Number:
AG00EF2Z
Molecular Formula:
C7H8N2O2S2
Molecular Weight:
216.2806
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$107
- +
5g
1 week
United States
$252
- +
Product Description
Catalog Number:
AG00EF2Z
Chemical Name:
2,4-Bis(methylsulfanyl)pyrimidine-5-carboxylic acid
CAS Number:
6299-27-0
Molecular Formula:
C7H8N2O2S2
Molecular Weight:
216.2806
MDL Number:
MFCD21647861
IUPAC Name:
2,4-bis(methylsulfanyl)pyrimidine-5-carboxylic acid
InChI:
InChI=1S/C7H8N2O2S2/c1-12-5-4(6(10)11)3-8-7(9-5)13-2/h3H,1-2H3,(H,10,11)
InChI Key:
ODSORSOVOMCEHN-UHFFFAOYSA-N
SMILES:
CSc1nc(SC)ncc1C(=O)O
NSC Number:
44562
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.003g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
216.273g/mol
Monoisotopic Mass:
216.003g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties