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2-Methylbenzothiazole

CAT: 0286-M12020-02Size: 100 gDry Ice: NoHazardous: No
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CAT#:0286-M12020-02Size:100 g
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CAS Number
120-75-2
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00005794
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H332 Harmful if inhaled.
DOT Name
Not D.O.T.-Regulated
Precautions
P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

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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