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2-Methylbenzothiazole

CAT: 0572-TRC-M900005-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-M900005-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
120-75-2
Synonyms
2-Methyl-1,3-benzothiazole; 2-Methylbenzo[d]thiazole; NSC 3825
Hazard Statement
No Data Available
Smiles
Cc1nc2ccccc2s1
Molecular Formula
C8H7NS
Molecular Weight
149.21
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2-Methylbenzothiazole

2-methylbenzothiazole has been reported in Camellia sinensis and Micrococcus with data available.

CAS Number120-75-2
PubChem CID8446
IUPAC Name2-methyl-1,3-benzothiazole
Molecular FormulaC8H7NS
Molecular Weight149.21
XLogP3
Topological Polar Surface Area41.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity126
SMILES
CC1=NC2=CC=CC=C2S1
InChI
InChI=1S/C8H7NS/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3
InChIKey
DXYYSGDWQCSKKO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methylbenzothiazole
CAS: 120-75-2
CID: 8446
Formula: C8H7NS
MW: 149.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight149.21
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass149.02992040
Monoisotopic Mass149.02992040
Topological Polar Surface Area41.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity126
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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