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2(3H)-Benzothiazolone

CAT: 0572-TRC-B206660-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-B206660-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
934-34-9
Synonyms
2-Benzothiazolinone; 1,3-Benzothiazol-2(3H)-one; 2-Benzothiazolol; 2-Benzothiazolone; 2-Hydroxybenzothiazole; 2-Oxobenzothiazole; Benzothiazolone; NSC 26422; NSC 33823; NSC 7706; 2-Benzothiazolinone (6CI,7CI,8CI); 1,3-Benzothiazol-2(3H)-one; 1,3-Benzothiazol-2-ol; 2,3-Dihydro-1,3-benzothiazol-2-one; 2-Benzothiazolol; 2-Benzothiazolone; 2-Hydroxybenzothiazole; 2-Oxobenzothiazole; Benzothiazolone; NSC 26422; NSC 33823; NSC 7706
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
Oc1nc2ccccc2s1
Molecular Formula
C7H5NOS
Molecular Weight
151.19
InChI
InChI=1S/C7H5NOS/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)
Additionnal Information
IUPAC name: 1,3-benzothiazol-2-ol
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Benzothiazolone

2-hydroxybenzothiazole is benzothiazole substituted with a hydroxy group at the 2-position.

CAS Number934-34-9
PubChem CID13625
IUPAC Name3H-1,3-benzothiazol-2-one
Molecular FormulaC7H5NOS
Molecular Weight151.19
XLogP1.8
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity160
SMILES
C1=CC=C2C(=C1)NC(=O)S2
InChI
InChI=1S/C7H5NOS/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)
InChIKey
YEDUAINPPJYDJZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzothiazolone
CAS: 934-34-9
CID: 13625
Formula: C7H5NOS
MW: 151.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight151.19
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass151.00918496
Monoisotopic Mass151.00918496
Topological Polar Surface Area54.4 Ų
Heavy Atom Count10
Formal Charge0
Complexity160
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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