Home Other Building Blocks 2,5-bis(methylthio)pyrimidine

2,5-bis(methylthio)pyrimidine

CAS No.:
1510108-85-6
Catalog Number:
AG01DIMM
Molecular Formula:
C6H8N2S2
Molecular Weight:
172.2711
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Product Description
Catalog Number:
AG01DIMM
Chemical Name:
2,5-bis(methylthio)pyrimidine
CAS Number:
1510108-85-6
Molecular Formula:
C6H8N2S2
Molecular Weight:
172.2711
MDL Number:
MFCD30222298
IUPAC Name:
2,5-bis(methylsulfanyl)pyrimidine
InChI:
InChI=1S/C6H8N2S2/c1-9-5-3-7-6(10-2)8-4-5/h3-4H,1-2H3
InChI Key:
WGIISVFUILWSGK-UHFFFAOYSA-N
SMILES:
CSc1ncc(cn1)SC
Properties
Complexity:
91.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.013g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.264g/mol
Monoisotopic Mass:
172.013g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties