Research chemical
CAS Number: 62625-32-5
Product details
For laboratory research and professional procurement workflows.
PubChem CID
56840963
Exact Mass
719.70739
InChIKey
MOJVWXINGPUKNT-UHFFFAOYSA-M
IUPAC Name
sodium 2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxy-2-methylphenyl)-2,2-dioxo-1,2lambda6-benzoxathiol-3-yl]-3-methylphenolate
SMILES String
Cc1c(C2(c3cc(Br)c(O)c(Br)c3C)c3ccccc3OS2(=O)=O)cc(Br)c([O-])c1Br.[Na+]
No physical property values available.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
Phenol, 4,4'-(2,2-dioxido-3H-1,2-benzoxathiol-3-ylidene)bis[2,6-dibromo-3-methyl-, sodium salt (1:1) is identified by CAS 62625-32-5, with molecular formula C21H13Br4NaO5S, molecular weight 720, InChIKey MOJVWXINGPUKNT-UHFFFAOYSA-M.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
32
H-bond acceptors
5
H-bond donors
1
Rotatable bonds
2
Ring count
4
Aromatic rings
3
Topological polar surface area
86.66 Ų
Computed LogP
3.15
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
other structure rule
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
No
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
Phenol, 4,4'-(2,2-dioxido-3H-1,2-benzoxathiol-3-ylidene)bis[2,6-dibromo-3-methyl-, sodium salt (1:1) (CAS 62625-32-5) is maintained as a commercial cas reference with formula C21H13Br4NaO5S, molecular weight 720. 00 g/mol, PubChem CID 56840963.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
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Documentation needs
Review supplier documentation before handling; for research use only.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.