Benzothiazole, 2,2'-methylenebis-
Basic information
- CAS
1945-78-4- Standard SMILES
c1ccc2sc(Cc3nc4ccccc4s3)nc2c1- InChIKey
ZRXNLCFJIKBZCA-UHFFFAOYSA-N- Molecular formula
- C15H10N2S2
- Average molar mass
- 282.4 g/mol
- Monoisotopic mass
- 282.02854067
Names & identifiers
- Preferred name
- Benzothiazole, 2,2'-methylenebis-
- IUPAC
- 2-(1,3-benzothiazol-2-ylmethyl)-1,3-benzothiazole
- English name
- 2,2'-METHYLENEBISBENZOTHIAZOLE
- Molecular formula
- C15H10N2S2
- Molecular weight
- 282.38
Names & synonyms
1945-78-4Benzothiazole, 2,2'-methylenebis-2,2'-Methylenedibenzothiazole2,2'-methylenebis(1,3-benzothiazole)EINECS 217-744-9DTXSID20620822,2'-Methylenebis[benzothiazole]2,2'-Methylenebis(benzothiazole)RefChem:566275DTXCID6036097217-744-9InChI=1/C15H10N2S2/c1-3-7-12-10(5-1)16-14(18-12)9-15-17-11-6-2-4-8-13(11)19-15/h1-8H,9H
Show more names
DI-2-BENZOTHIAZOLYLMETHANEBis(2-benzothiazolyl)methaneDi(benzothiazole-2-yl)methane2,2-Methylenedisbenzothiazole2,2’-methylenebis-benzothiazol2,2'-Methylenebisbenzothiazole>
2,2'-MethylenebisbenzothiazoleBis(benzo[d]thiazol-2-yl)methane2-(1,3-benzothiazol-2-ylmethyl)-1,3-benzothiazoleMFCD000513952-[(1,3-benzothiazol-2-yl)methyl]-1,3-benzothiazole2,2/'-METHYLENEBISBENZOTHIAZOLEMaybridge1_006808bis-2-benzothiazolylmethane
Database identifiers
- CAS
1945-78-4- PubChem CID
- 74755
- DTXSID
DTXSID2062082- UNII
- 5Q4FF479R4
- EC Number
- 217-744-9
- Nikkaji
- J199.763G
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 82.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 295
Physicochemical properties
- Melting point
- 92 · 92-96 °C
- Density
- 1.327 · 1.3270 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- form
- Crystalline Powder
- color
- Greenish-yellow to light green
- CAS DataBase Reference
- 1945 · 1945-78-4(CAS DataBase Reference)
- EPA Substance Registry System
- 2 · Benzothiazole, 2,2'-methylenebis- (1945-78-4)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 24 · 24/25-36-26
- TSCA
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- hs_code
- 29342000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25-36-26
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzothiazole, 2,2'-methylenebis-: ACTIVE
Applications
Uses2,2''-Methylenebisbenzothiazole is used in preparation of Bisbenzothiazolyl Methane Salicylaldehyde derivative and application as antibacterial agent.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers
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Related reactions
6 records
Compound notes
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