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DIDNTB

CAT: 0804-HY-D0862-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-D0862-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DIDNTB is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
CAS Number
145551-16-2
UNSPSC
12352200
Hazard Statement
H301, H311, H331
Target
Biochemical Assay Reagents
Type
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/didntb.html
Purity
95.0
Solubility
DMSO : 5.83 mg/mL (ultrasonic)
Smiles
O=S1(OC(C2=CC([N+]([O-])=O)=C(O)C(I)=C2)(C3=CC([N+]([O-])=O)=C(O)C(I)=C3)C4=C(Br)C(Br)=C(Br)C(Br)=C41)=O
Molecular Formula
C19H6Br4I2N2O9S
Molecular Weight
1011.75
Precautions
H301, H311, H331
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

4,5,6,7-Tetrabromo-3,3-bis(4-hydroxy-3-iodo-5-nitrophenyl)-3H-benzo[c][1,2]oxathiole 1,1-dioxide
CAS Number145551-16-2
PubChem CID110204051
IUPAC Name2-iodo-6-nitro-4-[4,5,6,7-tetrabromo-3-(4-hydroxy-3-iodo-5-nitrophenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]phenol
Molecular FormulaC19H6Br4I2N2O9S
Molecular Weight1011.8
XLogP8.1
Topological Polar Surface Area184
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Heavy Atom Count37
Formal Charge0
Complexity988
SMILES
C1=C(C=C(C(=C1[N+](=O)[O-])O)I)C2(C3=C(C(=C(C(=C3Br)Br)Br)Br)S(=O)(=O)O2)C4=CC(=C(C(=C4)I)O)[N+](=O)[O-]
InChI
InChI=1S/C19H6Br4I2N2O9S/c20-12-11-18(15(23)14(22)13(12)21)37(34,35)36-19(11,5-1-7(24)16(28)9(3-5)26(30)31)6-2-8(25)17(29)10(4-6)27(32)33/h1-4,28-29H
InChIKey
NMHYCKTXIQQVPE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,5,6,7-Tetrabromo-3,3-bis(4-hydroxy-3-iodo-5-nitrophenyl)-3H-benzo[c][1,2]oxathiole 1,1-dioxide
CAS: 145551-16-2
CID: 110204051
Formula: C19H6Br4I2N2O9S
MW: 1011.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1011.8
XLogP38.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Exact Mass1011.45760
Monoisotopic Mass1007.46170
Topological Polar Surface Area184 Ų
Heavy Atom Count37
Formal Charge0
Complexity988
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TYD-00082-01DIDNTB

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