Basic information
- CAS
2785-06-0- Standard SMILES
Cc1sc2ccccc2[n+]1C.[I-]- InChIKey
VZRIFNLQJXPRJI-UHFFFAOYSA-M- Molecular formula
- C9H10INS
- Average molar mass
- 291.15 g/mol
- Monoisotopic mass
- 290.95786832
Names & identifiers
- Preferred name
- 2,3-Dimethylbenzo[d]thiazol-3-ium iodide
- IUPAC
- 2,3-dimethyl-1,3-benzothiazol-3-ium iodide
- English name
- Benzothiazolium, 2,3-dimethyl-, iodide
- Molecular formula
- C9H10INS
- Molecular weight
- 291.15187
Names & synonyms
2785-06-02,3-Dimethylbenzo[d]thiazol-3-ium iodide2,3-Dimethylbenzothiazolium iodide2,3-dimethyl-1,3-benzothiazol-3-ium iodide2,3-dimethyl-1,3-benzothiazol-3-ium;iodideMFCD00031760Benzothiazolium, 2,3-dimethyl-, iodideC9H10INSSCHEMBL1318387SCHEMBL3734373CHEMBL2393312SCHEMBL31147096
Show more names
2,3-dimethyl-1,3-benzothiazol-3-iumN-Methyl-2-methylbenzothiazolium iodide
HMS562E21DTXSID50950521VZRIFNLQJXPRJI-UHFFFAOYSA-MCAA78506NSC10497CCG-44418NSC-10497AKOS005762845
Database identifiers
- CAS
2785-06-0- PubChem CID
- 459121
- DTXSID
DTXSID50950521- ChEMBL
CHEMBL2393312
Properties
Computed structural properties
- Topological polar surface area
- 32.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 148
Physicochemical properties
- Melting point
- 229 · 229-230℃
- storage temp.
- 2 · 2-8°C, protect from light
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Suppliers22 total
山东玖玥生物科技有限公司15553333686 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
河南伊诺凯新材料有限公司15764055027 15764055027 · [email protected]
济南君合药业有限公司18653300596 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
上海玉函化工有限公司021-61469567 13774476675 · [email protected]
上海易恩化学技术有限公司400-400-1332688 18019345275 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
合肥瑞科昇生物科技有限公司0551-66336380 18956014586 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
重庆卡兰医药有限公司[email protected]
上海传芊化工科技中心15869524721 · [email protected]
山东明德生物技术有限公司15553348166 · [email protected]
吉林中科研伸科技有限公司043180534350 19917294565 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
5 records
Compound notes
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