Dipyrithione
PubChem CID: 3109
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| Compound Synonyms | dipyrithione, 3696-28-4, 2,2'-DITHIOBIS(PYRIDINE-N-OXIDE), Omadine disulfide, Bispyrithione, OMDS, Dipiritiona, pyrithione disulfide, Dipyrithionum, Omadine DS, Pyrithione disulphide, 2,2-Dithiobis(pyridine-n-oxide), Bis(2-pyridyl-N-oxide) disulfide, Bis(N-oxido-2-pyridyl) disulfide, Bis(2-pyridine-N-oxide) disulfide, Bis(2-pyridyl) disulfide di-N-oxide, Dipyrithione [USAN:INN], Dipiritiona [INN-Spanish], Dipyrithionum [INN-Latin], Bis(2-pyridyl-1-oxide) disulfide, 2,2'-Dithiobis(pyridine 1-oxide), 2,2'-Dithiodipyridine 1,1'-dioxide, OSY 20, 1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium, EINECS 223-024-5, NSC 84740, NSC-84740, 2,2'-Dithiodipyridine-1,1'-dioxide, NSC 241716, NSC-241716, BRN 0217725, 2,2'-Dithiobis(pyridine 1,1'-dioxide), 2,2'-Dithiobis(pyridine) 1,1'-dioxide, DTXSID1041897, Pyridine, 2,2'-dithiodi-, 1,1'-dioxide, 9L87N86R9A, Pyridine, 2,2'-dithiobis-, 1,1'-dioxide, MFCD00006197, 2,2'-Thiobispyridine-1,1'-dioxide, DIPYRITHIONE [INN], DIPYRITHIONE [USAN], DIPYRITHIONE [MART.], DTXCID9021897, 2,2'-Dithiobis(pyridine N-oxide), 5-21-02-00055 (Beilstein Handbook Reference), 2,1'-dioxide, 2,1'-dioxide), NCGC00164493-01, NCGC00164493-02, 2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium-1-olate, DI-2-PYRIDYL DISULFIDE 1,1'-DIOXIDE, Dipiritiona (INN-Spanish), Dipyrithionum (INN-Latin), DIPYRITHIONE (MART.), Pyridine,2'-dithiobis- 1,1'-dioxide, Pyridine,2'-dithiodi-, 1,1'-dioxide, Pyridine,2'-dithiobis-, 1,1'-dioxide, CAS-3696-28-4, UNII-9L87N86R9A, 1-oxido-2-((1-oxidopyridin-1-ium-2-yl)disulfanyl)pyridin-1-ium, Pyridine, 2,2'-dithiobis- 1,1'-dioxide, Dipyrithione, Bispyrithione, Dipyrithione (USAN/INN), BISPYRITHIONE [INCI], SCHEMBL21165, CHEMBL549473, CHEBI:136010, ZHDBTKPXEJDTTQ-UHFFFAOYSA-N, HY-N8432, NSC84740, Tox21_112131, 2.2/'-Dithiobis(pyridine-N-oxide), NSC241716, NSC677437, 2,2'-disulfanediyldipyridine 1-oxide, AKOS015898887, Tox21_112131_1, DB11327, FD41673, AS-13849, SY113495, DB-049044, CS-0144153, NS00010050, D03862, H10998, SBI-0654008.0001, EN300-7384118, PYRIDINE, 2,2'-DITHIOBIS-1,1'-DIOXIDE, SR-01000872605, SR-01000872605-2, Q17321248, 223-024-5 |
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| Topological Polar Surface Area | 102.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 199.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P02545, P42858, P51450, Q9F4F7, Q92830, O15648, Q96KQ7, P11473, P25094, P08659, O75496, O94925, Q57TT1, Q9NUW8, P10275, Q16236, P04792, Q03181, P19838, P05412 |
| Iupac Name | 1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium |
| Prediction Hob | 1.0 |
| Target Id | NPT483, NPT1197 |
| Xlogp | 0.6 |
| Molecular Formula | C10H8N2O2S2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZHDBTKPXEJDTTQ-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -2.835 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.278 |
| Compound Name | Dipyrithione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 252.003 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 252.003 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 252.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.114184 |
| Inchi | InChI=1S/C10H8N2O2S2/c13-11-7-3-1-5-9(11)15-16-10-6-2-4-8-12(10)14/h1-8H |
| Smiles | C1=CC=[N+](C(=C1)SSC2=CC=CC=[N+]2[O-])[O-] |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Allium Stipitatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all