Basic information
- CAS
19654-21-8- Standard SMILES
Ic1ccc(-c2nc3ccccc3s2)cc1- InChIKey
CCIXKKKCHOKBCR-UHFFFAOYSA-N- Molecular formula
- C13H8INS
- Average molar mass
- 337.18 g/mol
- Monoisotopic mass
- 336.94222
Names & identifiers
- Preferred name
- 2-(4-Iodophenyl)-1,3-benzothiazole
- IUPAC
- 2-(4-iodophenyl)-1,3-benzothiazole
- English name
- Benzothiazole, 2-(4-iodophenyl)-
- Molecular formula
- C13H8INS
- Molecular weight
- 337.18
Names & synonyms
2-(4-iodophenyl)-1,3-benzothiazole2-(4-iodophenyl)benzothiazole19654-21-8SCHEMBL4515790SCHEMBL301619032-(4-Iodophenyl)benzo[d]thiazoleDTXSID901307707ALBB-033487MFCD00447944STL577107AKOS000462566NCGC00165324-01
Show more names
Benzothiazole, 2-(4-iodophenyl)-
LS-12723ST50220211H47005AG-205/07695064
Database identifiers
- CAS
19654-21-8- PubChem CID
- 838136
- DTXSID
DTXSID901307707- EC Number
- 131-730-9
- Nikkaji
- J2.511.374H
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 240
Physicochemical properties
- Boiling point
- 413.7 · 413.7±47.0 °C(Predicted)
- Density
- 1.741 · 1.741±0.06 g/cm3(Predicted)
- pka
- 0.38 · 0.38±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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, 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%)
Chemistry & industry
Suppliers3 total
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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