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Ammonium-d4 Thiocyanate

CAT: 0572-TRC-A634072-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A634072-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
36700-77-3
Synonyms
Thiocyanic Acid-d; Ammonium-d3 Salt;
Hazard Statement
No Data Available
Smiles
N#CS[2H].[2H]N([2H])[2H]
Molecular Formula
C D N S • (ND3)
Molecular Weight
80.15
InChI
InChI=1S/CHNS.H3N/c2-1-3;/h3H;1H3/i/hD4
Additionnal Information
IUPAC name: thiocyanic acid-d--ammonia-d3 (1/1)
Shipping Conditions
Room Temperature

Chemical Information

(~2~H_4_)Ammonium thiocyanate
CAS Number36700-77-3
PubChem CID16212522
IUPAC Nametetradeuterioazanium thiocyanate
Molecular FormulaCH4N2S
Molecular Weight80.15
Topological Polar Surface Area25.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count4
Formal Charge0
Complexity31
SMILES
[2H][N+]([2H])([2H])[2H].C(#N)[S-]
InChI
InChI=1S/CHNS.H3N/c2-1-3;/h3H;1H3/i/hD4
InChIKey
SOIFLUNRINLCBN-JBISRTOLSA-N
Chemical Structure
2D Structure
2D structure of (~2~H_4_)Ammonium thiocyanate
CAS: 36700-77-3
CID: 16212522
Formula: CH4N2S
MW: 80.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight80.15
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass80.03462629
Monoisotopic Mass80.03462629
Topological Polar Surface Area25.8 Ų
Heavy Atom Count4
Formal Charge0
Complexity31.3
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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