Cas no 874-45-3 (Benzothiazole,2-methyl-, hydrobromide (1:1))
874-45-3 structure
Product Name:Benzothiazole,2-methyl-, hydrobromide (1:1)
CAS No:874-45-3
MF:C8H8BrNS
MW:230.124819755554
CID:707293
PubChem ID:16237421
Update Time:2025-04-19
Benzothiazole,2-methyl-, hydrobromide (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Benzothiazole,2-methyl-, hydrobromide (1:1)
- Benzothiazole, 2-methyl-, hydrobromide (8CI,9CI)
- IWNZVYDXOXGHBW-UHFFFAOYSA-N
- 2-methylbenzothiazolium bromide
- SCHEMBL887893
- 874-45-3
- AKOS027418253
- 2-Methyl-1,3-benzothiazol-3-ium bromide
-
- Inchi: 1S/C8H7NS.BrH/c1-6-9-7-4-2-3-5-8(7)10-6;/h2-5H,1H3;1H
- InChI Key: IWNZVYDXOXGHBW-UHFFFAOYSA-N
- SMILES: [Br-].S1C(C)=[NH+]C2C=CC=CC1=2
Computed Properties
- Exact Mass: 149.03
- Monoisotopic Mass: 149.03
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 126
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3
- Topological Polar Surface Area: 41.1A^2
Experimental Properties
- Color/Form: Colorless oily
- Density: 1.173
- Boiling Point: 238℃
- Flash Point: 102℃
- Refractive Index: 1.617
- LogP: 3.56280
Benzothiazole,2-methyl-, hydrobromide (1:1) Security Information
- Storage Condition:Store in tightly closed containers. Store in a cool, dry, well ventilated area away from incompatible substances.
Benzothiazole,2-methyl-, hydrobromide (1:1) Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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