2-Methylbenzothiazole
Basic information
- CAS
120-75-2- Standard SMILES
Cc1nc2ccccc2s1- InChIKey
DXYYSGDWQCSKKO-UHFFFAOYSA-N- Molecular formula
- C8H7NS
- Average molar mass
- 149.21 g/mol
- Monoisotopic mass
- 149.0299204
Overview
2-methylbenzothiazole has been reported in Camellia sinensis and Micrococcus with data available.
Names & identifiers
- Preferred name
- 2-Methylbenzothiazole
- IUPAC
- 2-methyl-1,3-benzothiazole
- English name
- 2-Methylbenzothiazole
- Molecular formula
- C8H7NS
- Molecular weight
- 149.21
Names & synonyms
2-Methylbenzothiazole120-75-2Benzothiazole, 2-methyl-2-METHYBENZOTHIAZOLE2-methyl-benzothiazoleUSAF EK-18532-Methyl benzothiazoleUNII-7LX1XE6H8WDTXSID8049208BRN 0112427NSC 3825EINECS 204-423-3
Show more names
2-methylbenzo[d]thiazoleMETHYLBENZOTHIAZOLE2-Methyl-1,3-benzothiazoleusafek-18532-Methylbenzothiazo2-methylbenzothiazol2-methyl-benzothiazol3-Methyl-benzothiazole
7LX1XE6H8WCCRIS 8096NSC-38254-27-00-01080 (Beilstein Handbook Reference)DTXCID4029064RefChem:88264204-423-3DXYYSGDWQCSKKO-UHFFFAOYSA-N
Database identifiers
- CAS
120-75-2- PubChem CID
- 8446
- DTXSID
DTXSID8049208- ChEMBL
CHEMBL2393325- UNII
- 7LX1XE6H8W
- EC Number
- 204-423-3
- Nikkaji
- J37.318D
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 126
Experimental & physicochemical properties
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Boiling Point238.00 °C. @ 760.00 mm Hg
Melting Point14 °C
Physical DescriptionLiquid
Physicochemical properties
- Melting point
- 11 · 11-14 °C (lit.)
- Boiling point
- 238 °C · 238 °C (lit.)
- Density
- 1.173 g/mL · 1.173 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.617(lit.)
- Flash point
- 216 °F · 216 °F
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- DMSO (Sparingly), Methanol (Slightly)
- form
- Liquid
- pka
- 1.65 · 1.65±0.10(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 95% (38 of 40) of all reports.
Not Classified
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Benzothiazole, 2-methyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Benzothiazole, 2-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Safety data
- PPE
- Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- DL5600000
- hs_code
- 29342080
- risk_code
- 36/37/38-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 23-24/25
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
General Manufacturing InformationBenzothiazole, 2-methyl-: ACTIVE
Applications
Uses2-Methylbenzothiazole is a useful reagent for efficient development of new fluorescent probes for RNA G quadruplex imaging.
General Description2-Methylbenzothiazole can be synthesized by the Cu-catalyzed, base-free C-S coupling using conventional and microwave heating methods.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
68 records
Compound notes
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