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73109-39-4 | 2-(METHYLTHIO)[1,3]THIAZOLO[5,4-D]PYRIMIDINE-5,7-DITHIOL
CAS No: 73109-39-4 Catalog No: AG008QJS MDL No:
Product Description
Catalog Number:
AG008QJS
Chemical Name:
2-(METHYLTHIO)[1,3]THIAZOLO[5,4-D]PYRIMIDINE-5,7-DITHIOL
CAS Number:
73109-39-4
Molecular Formula:
C6H5N3S4
Molecular Weight:
247.3840
IUPAC Name:
2-methylsulfanyl-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dithione
InChI:
InChI=1S/C6H5N3S4/c1-12-6-7-2-3(10)8-5(11)9-4(2)13-6/h1H3,(H2,8,9,10,11)
InChI Key:
YVFHEBZPVMDKEG-UHFFFAOYSA-N
SMILES:
CSc1sc2c(n1)c(S)nc(n2)S
UNII:
98H8B0I076
NSC Number:
343780
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.937g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
247.367g/mol
Monoisotopic Mass:
246.937g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
155A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| 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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