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15054-61-2 | Pyrimidine, 2,2'-[methylenebis(thio)]bis- (9CI)
CAS No: 15054-61-2 Catalog No: AG001MPS MDL No:
Product Description
Catalog Number:
AG001MPS
Chemical Name:
Pyrimidine, 2,2'-[methylenebis(thio)]bis- (9CI)
CAS Number:
15054-61-2
Molecular Formula:
C9H8N4S2
Molecular Weight:
236.3166
IUPAC Name:
2-(pyrimidin-2-ylsulfanylmethylsulfanyl)pyrimidine
InChI:
InChI=1S/C9H8N4S2/c1-3-10-8(11-4-1)14-7-15-9-12-5-2-6-13-9/h1-6H,7H2
InChI Key:
IATBWVPAESAKCR-UHFFFAOYSA-N
SMILES:
C(Sc1ncccn1)Sc1ncccn1
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.019g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.311g/mol
Monoisotopic Mass:
236.019g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Molecular metallocycles, acyclic metallodimers and 2D coordination polymers containing the twisted ligand bis(pyrimidin-2-ylthio)methane. | Dalton transactions (Cambridge, England : 2003) 20100307 |
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