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1450-90-4 | Pyrimidine, 4,6-bis(methylthio)-
CAS No: 1450-90-4 Catalog No: AG001KG5 MDL No:
Product Description
Catalog Number:
AG001KG5
Chemical Name:
Pyrimidine, 4,6-bis(methylthio)-
CAS Number:
1450-90-4
Molecular Formula:
C6H8N2S2
Molecular Weight:
172.2711
IUPAC Name:
4,6-bis(methylsulfanyl)pyrimidine
InChI:
InChI=1S/C6H8N2S2/c1-9-5-3-6(10-2)8-4-7-5/h3-4H,1-2H3
InChI Key:
PDEXXTHEMNGLQV-UHFFFAOYSA-N
SMILES:
CSc1ncnc(c1)SC
UNII:
YIA01SY75T
NSC Number:
43285
Properties
Complexity:
89.7
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:
1.9
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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