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Tosyl Cyanide (>90%)

CAT: 0572-TRC-T631000-2.5GSize: 2.5 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-T631000-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
19158-51-1
Synonyms
4-Methylbenzenesulfonyl Cyanide; p-Toluenesulfonyl Cyanide; 4-Toluenesulfonyl Cyanide; Tosyl Cyanide; p-Tolylsulfonyl Cyanide
Hazard Statement
Harmful if inhaled; UN number: UN3261; Packing Group: II
Smiles
Cc1ccc(cc1)S(=O)(=O)C#N
Molecular Formula
C8H7NO2S
Molecular Weight
181.21
Shipping Conditions
Dry Pack
Storage Conditions
-20°C

Chemical Information

p-Toluenesulphonyl cyanide
CAS Number19158-51-1
PubChem CID87946
IUPAC Name(4-methylphenyl)sulfonylformonitrile
Molecular FormulaC8H7NO2S
Molecular Weight181.21
XLogP2.3
Topological Polar Surface Area66.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity285
SMILES
CC1=CC=C(C=C1)S(=O)(=O)C#N
InChI
InChI=1S/C8H7NO2S/c1-7-2-4-8(5-3-7)12(10,11)6-9/h2-5H,1H3
InChIKey
JONIMGVUGJVFQD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of p-Toluenesulphonyl cyanide
CAS: 19158-51-1
CID: 87946
Formula: C8H7NO2S
MW: 181.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight181.21
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass181.01974964
Monoisotopic Mass181.01974964
Topological Polar Surface Area66.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity285
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

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