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Sulfanilamide-d4 (ring-d4)

CAT: 0572-TRC-S689101-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-S689101-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
77435-46-2
Synonyms
Benzene-2,3,5,6-d4-sulfonamide, 4-amino- (9CI)
Hazard Statement
May be harmful if swallowed.
Purity
>95% (HPLC)
Smiles
[2H]c1c([2H])c(c([2H])c([2H])c1N)S(=O)(=O)N
Molecular Formula
C6 D4 H4 N2 O2 S
Molecular Weight
176.2296
InChI
InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)/i1D,2D,3D,4D
Additionnal Information
IUPAC name: 4-aminobenzene-2,3,5,6-d4-sulfonamide
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Ergaseptine-d4
CAS Number77435-46-2
PubChem CID12208581
IUPAC Name4-amino-2,3,5,6-tetradeuteriobenzenesulfonamide
Molecular FormulaC6H8N2O2S
Molecular Weight176.23
XLogP-0.6
Topological Polar Surface Area94.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity211
SMILES
[2H]C1=C(C(=C(C(=C1N)[2H])[2H])S(=O)(=O)N)[2H]
InChI
InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)/i1D,2D,3D,4D
InChIKey
FDDDEECHVMSUSB-RHQRLBAQSA-N
Chemical Structure
2D Structure
2D structure of Ergaseptine-d4
CAS: 77435-46-2
CID: 12208581
Formula: C6H8N2O2S
MW: 176.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight176.23
XLogP3-0.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass176.05575566
Monoisotopic Mass176.05575566
Topological Polar Surface Area94.6 Ų
Heavy Atom Count11
Formal Charge0
Complexity211
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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