Basic information
- CAS
10205-56-8- Standard SMILES
CN(C)c1ccc(-c2nc3ccccc3s2)cc1- InChIKey
HYKGLCSXVAAXNC-UHFFFAOYSA-N- Molecular formula
- C15H14N2S
- Average molar mass
- 254.4 g/mol
- Monoisotopic mass
- 254.08776963
Names & identifiers
- Preferred name
- 4-(1,3-benzothiazol-2-yl)-N,N-dimethylaniline
- IUPAC
- 4-(1,3-benzothiazol-2-yl)-N,N-dimethylaniline
- English name
- (4-Benzothiazol-2-yl-phenyl)-dimethyl-amine
- Molecular formula
- C15H14N2S
- Molecular weight
- 254.35
Names & synonyms
4-(1,3-Benzothiazol-2-yl)-N,N-dimethylanilineRefChem:510150963-930-410205-56-8Luciferase-IN-14-(Benzo[d]thiazol-2-yl)-N,N-dimethylanilineBenzenamine, 4-(2-benzothiazolyl)-N,N-dimethyl-2-(4-dimethylaminophenyl)benzothiazole(4-Benzothiazol-2-yl-phenyl)-dimethyl-amine2-(4'-Dimethylaminophenyl)benzothiazoleBenzothiazole, 2-(p-(dimethylamino)phenyl)-MFCD00937700
Show more names
Luciferase Inhibitor IILuciferase-IN-1, 10 mM in DMSO
CHEMBL92816BRN 0185488NSC33165Benzenamine,4-(2-benzothiazolyl)-N,N-dimethyl-SCHEMBL619174-27-00-05046 (Beilstein Handbook Reference)Luciferase IN 1,LuciferaseIN1orb1692125
Database identifiers
- CAS
10205-56-8- PubChem CID
- 95755
- DTXSID
DTXSID00144559- ChEMBL
CHEMBL92816- EC Number
- 963-930-4
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 44.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 274
Experimental & physicochemical properties
SpringerMaterials PropertiesAngular frequency
Physicochemical properties
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 0.5 mg/mLethanol: · DMSO: 0.5mg/mLethanol: 3mg/mL
- form
- Solid
- color
- Light yellow to brown
- InChI
- 1S/C15H14N2S/c1-17(2)12-9-7-11(8-10-12)15-16-13-5-3-4-6-14(13)18-15/h3-10H,1-2H3
- InChIKey
- HYKGLCSXVAAXNC-UHFFFAOYSA-N
- SMILES
- [s]1c2c(nc1c3ccc(cc3)N(C)C)cccc2
- EWG's Food Scores
- 1 · 1
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 28 · NA.28
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (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 CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- WGK 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
Uses4-(1,3-Benzothiazol-2-yl)-n,n-dimethylaniline can be used as a pest control agent having juvenile hormone antagonistic activity.
Suppliers20 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
箴德化工科技（上海）有限公司15601952568 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
江苏阿贝力科技有限公司18901580598 · [email protected]
上海睿升化工科技有限公司15026594951 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
济宁一泽医药科技有限公司15192473210 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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