Basic information
- CAS
72076-56-3- Standard SMILES
Cc1nc(SSc2nc(C)c([N+](=O)[O-])s2)sc1[N+](=O)[O-]- InChIKey
YJAZMWZQLKWFTM-UHFFFAOYSA-N- Molecular formula
- C8H6N4O4S4
- Average molar mass
- 350.4 g/mol
- Monoisotopic mass
- 349.92718938
Names & identifiers
- Preferred name
- Thiazole, 2,2'-dithiobis(4-methyl-5-nitro-
- IUPAC
- 4-methyl-2-[(4-methyl-5-nitro-1,3-thiazol-2-yl)disulfanyl]-5-nitro-1,3-thiazole
- English name
- 2,2'-Dithiobis(4-methyl-5-nitrothiazole)
- Molecular formula
- C8H6N4O4S4
- Molecular weight
- 350.42
Names & synonyms
2,2'-Dithiobis(4-methyl-5-nitrothiazole)Thiazole, 2,2'-dithiobis[4-methyl-5-nitro-Thiazole, 2,2'-dithiobis(4-methyl-5-nitro-DTXSID50724882,2'-Dithiobis[4-methyl-5-nitrothiazole]RefChem:384494DTXCID404720672076-56-3SCHEMBL8676177YJAZMWZQLKWFTM-UHFFFAOYSA-N2,2'-Disulfanediylbis(4-methyl-5-nitro-1,3-thiazole)4-methyl-2-[(4-methyl-5-nitro-1,3-thiazol-2-yl)disulfanyl]-5-nitro-1,3-thiazole
Database identifiers
- CAS
72076-56-3- PubChem CID
- 3085698
- DTXSID
DTXSID5072488- Nikkaji
- J447.032J
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 225 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 356
Physicochemical properties
- EPA Substance Registry System
- 2 · Thiazole, 2,2'-dithiobis[4-methyl-5-nitro- (72076-56-3)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationThiazole, 2,2'-dithiobis[4-methyl-5-nitro-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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