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Thiazole-2-boronic Acid

CAT: 0572-TRC-T309590-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T309590-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
389630-95-9
Hazard Statement
No Data Available
Smiles
OB(O)c1nccs1
Molecular Formula
C3 H4 B N O2 S
Molecular Weight
128.945
InChI
InChI=1S/C3H4BNO2S/c6-4(7)3-5-1-2-8-3/h1-2,6-7H
Additionnal Information
IUPAC name: 1,3-thiazol-2-ylboronic acid
Shipping Conditions
Room Temperature

Chemical Information

Thiazol-2-ylboronic acid
CAS Number389630-95-9
PubChem CID21981052
IUPAC Name1,3-thiazol-2-ylboronic acid
Molecular FormulaC3H4BNO2S
Molecular Weight128.95
Topological Polar Surface Area81.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count8
Formal Charge0
Complexity81
SMILES
B(C1=NC=CS1)(O)O
InChI
InChI=1S/C3H4BNO2S/c6-4(7)3-5-1-2-8-3/h1-2,6-7H
InChIKey
JWUGKJKBCKJFOU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thiazol-2-ylboronic acid
CAS: 389630-95-9
CID: 21981052
Formula: C3H4BNO2S
MW: 128.95
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight128.95
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass129.0055797
Monoisotopic Mass129.0055797
Topological Polar Surface Area81.6 Ų
Heavy Atom Count8
Formal Charge0
Complexity81.7
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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