Basic information
- CAS
852-20-0- Standard SMILES
O=[N+]([O-])c1cc(Cl)cc(Sc2cc(Cl)cc([N+](=O)[O-])c2O)c1O- InChIKey
ZAOJWJAARUYTMA-UHFFFAOYSA-N- Molecular formula
- C12H6Cl2N2O6S
- Average molar mass
- 377.2 g/mol
- Monoisotopic mass
- 375.9323625
Overview
structure in first source; RN given refers to parent cpd
Names & identifiers
- Preferred name
- 2,2'-Thiobis(4-chloro-6-nitrophenol)
- IUPAC
- 4-chloro-2-(5-chloro-2-hydroxy-3-nitrophenyl)sulfanyl-6-nitrophenol
- English name
- 2,2'-thiobis[4-chloro-6-nitrophenol]
- Molecular formula
- C12H6Cl2N2O6S
- Molecular weight
- 377.15684
Names & synonyms
852-20-0Oxynide2,2'-Thiobis(4-chloro-6-nitrophenol)2,2'-Thiobis[4-chloro-6-nitrophenol]RefChem:9084982,2'-thiobis(4-chloro-6-nitro)phenol212-708-9Phenol, 2,2'-thiobis[4-chloro-6-nitro-2,2'-sulfanediylbis(4-chloro-6-nitrophenol)Bis(2-hydroxy-3-nitro-5-chlorophenyl)sulfide4-chloro-2-(5-chloro-2-hydroxy-3-nitrophenyl)sulfanyl-6-nitrophenolPhenol,2,2'-thiobis[4-chloro-6-nitro-
Show more names
DS-6
4-CHLORO-2-[(5-CHLORO-2-HYDROXY-3-NITROPHENYL)SULFANYL]-6-NITROPHENOLPhenol, 2,2'-thiobis(4-chloro-6-nitro-6,6'-THIOBIS(4-CHLORO-2-NITROPHENOL)CCRIS 5742EINECS 212-708-9HL-5DTXSID2073934SCHEMBL19418970
Database identifiers
- CAS
852-20-0- PubChem CID
- 70063
- DTXSID
DTXSID2073934- EC Number
- 212-708-9
- Nikkaji
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 422
Physicochemical properties
- EPA Substance Registry System
- 2 · Phenol, 2,2'-thiobis[4-chloro-6-nitro- (852-20-0)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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