Mrv0541 12111409402D          

 14 15  0  0  0  0            999 V2000
    6.8265    0.1831    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1317   -0.2380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8265    1.0081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0951    1.3899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3820    0.1327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4003    0.9688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8128    2.1445    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5076    2.5656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8056    1.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5552    0.9195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2389    2.1838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2389    1.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9631    0.9477    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6762    1.3799    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  5  2  1  0  0  0  0
  4  3  2  0  0  0  0
  6  4  1  0  0  0  0
  6  5  2  0  0  0  0
 14  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 11  8  1  0  0  0  0
 10  9  2  0  0  0  0
 12 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
M  END
> <ID>
CHEBI:41814

> <NAME>
4,4'-dipyridyl disulfide

> <DEFINITION>
An organic disulfide obtained by formal oxidative dimerisation of 4-thiopyridine.

> <STAR>
3

> <SYNONYM>
Di(4-pyridyl) disulfide; Bis(4-pyridyl) disulfide; 4-Pyridyl disulfide; 4,4'-dithiodipyridine; 4,4'-Dipyridine disulfide

> <IUPAC_NAME>
4,4'-disulfanediyldipyridine

> <BRAND_NAME>
Aldrithiol-4

> <FORMULA>
C10H8N2S2

> <MASS>
220.31400

> <MONOISOTOPIC_MASS>
220.01289

> <CHARGE>
0

> <SMILES>
S(Sc1ccncc1)c1ccncc1

> <INCHI>
InChI=1S/C10H8N2S2/c1-5-11-6-2-9(1)13-14-10-3-7-12-8-4-10/h1-8H

> <INCHIKEY>
UHBAPGWWRFVTFS-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
2645-22-9

> <REAXYS_REGISTRY_NUMBER>
154742

> <CHEMIDPLUS>
2645-22-9

> <DRUGBANK_ACCESSION>
DB07623

> <METACYC_ACCESSION>
CPD-9046

> <NIST_CHEMISTRY_WEBBOOK>
2645-22-9

> <PDBECHEM_ACCESSION>
D4G

> <PUBMED_CITATION>
4025805

$$$$