Basic information
- CAS
17681-30-0- Standard SMILES
C[NH2+]Cc1nc2ccccc2s1- InChIKey
XRUPROQYVHMNDL-UHFFFAOYSA-O- Molecular formula
- C9H11N2S+
- Average molar mass
- 179.26 g/mol
- Monoisotopic mass
- 179.06429453
Names & identifiers
- Preferred name
- (1,3-Benzothiazol-2-yl)-N-methylmethanaminium
- IUPAC
- 1,3-benzothiazol-2-ylmethyl(methyl)azanium
- English name
- Benzothiazol-2-ylmethyl-methyl-amine
- Molecular formula
- C9H10N2S
- Molecular weight
- 178.26
Names & synonyms
DTXSID80938857(1,3-Benzothiazol-2-yl)-N-methylmethanaminiumBenzothiazole-2-methylmethanamineN-Methyl-2-benzothiazolemethanamineBenzothiazol-2-ylmethyl-methyl-amine2-Benzothiazolemethanamine, N-methyl-1-(2-Benzothiazolyl)-N-methylmethanamine2-Benzothiazolemethanamine,N-methyl-(9CI)(benzo[d]thiazol-2-yl)-N-methylmethanamine1,3-benzothiazol-2-ylmethyl(methyl)ammonium1-(benzo[d]thiazol-2-yl)-N-MethylMethanaMineN-(1,3-BENZOTHIAZOL-2-YLMETHYL)-N-METHYLAMINE
Database identifiers
- CAS
17681-30-0- PubChem CID
- 7129348
- DTXSID
DTXSID80938857
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 1
- Complexity
- 151
Physicochemical properties
- Melting point
- 53 °C · 53 °C
- Boiling point
- 277.5 · 277.5±23.0 °C(Predicted)
- Density
- 1.205 · 1.205±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 7.15 · 7.15±0.10(Predicted)
- Appearance
- Light yellow to brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 210 · P210-P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P370+P378-P403+P233-P403+P235-P405-P501
- HazardClass
- IRRITANT
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_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P210-P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P370+P378-P403+P233-P403+P235-P405-P501
Chemistry & industry
Suppliers28 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海艾澜医药有限公司021-58099609-8008 13816260319 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Aladdin Scientific[email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
苏州岚云医药科技有限公司2332782371 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
上海敏寒医药科技有限公司17612188245 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
上海威芬奇医药科技有限公司13817485796 · [email protected]
济南荣科药业有限公司18615606162 · [email protected]
成都塞欧斯医药科技有限公司028-64971018 18108168130
上海尊理加生命科技有限公司021-34045219 13062664914 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
南京宁凡医药科技有限公司17368696818
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
上海智乾生物科技有限公司[email protected]
济南睿思医药技术有限公司0531-0531-69900633 19963472814 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
山东煜昌药业有限公司531-87153728 13805401165 · [email protected]
佰美济华（河南）医药科技有限公司0371-88900765 18037465274 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海歆化化学科技有限公司086-18817515273 18817515273 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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