Basic information
- CAS
34243-38-4- Standard SMILES
c1csc(-c2nc3ccccc3s2)c1- InChIKey
CNDVGJHQJAJTJK-UHFFFAOYSA-N- Molecular formula
- C11H7NS2
- Average molar mass
- 217.3 g/mol
- Monoisotopic mass
- 217.00199157
Names & identifiers
- Preferred name
- 2-(2-Thienyl)benzothiazole
- IUPAC
- 2-thiophen-2-yl-1,3-benzothiazole
- English name
- Benzothiazole, 2-(2-thienyl)- (8CI,9CI)
- Molecular formula
- C11H7NS2
- Molecular weight
- 217.31
Names & synonyms
2-(2-Thienyl)benzothiazoleDTXSID70302907RefChem:454457DTXCID00254041890-054-934243-38-42-(Thiophen-2-yl)benzo[d]thiazole2-thiophen-2-yl-1,3-benzothiazole2-(thiophen-2-yl)-1,3-benzothiazoleMFCD001799182-(2-thienyl)-1,3-benzothiazolebenzothiazole, 2-(2-thienyl)-
Show more names
2-Thiophen-2-yl-benzothiazole
NSC155084Maybridge1_002105Benzothiazole, 2-(2-thienyl)- (8CI,9CI)MLS000851105SCHEMBL298796CHEMBL1491251HMS547H15CNDVGJHQJAJTJK-UHFFFAOYSA-N
Database identifiers
- CAS
34243-38-4- PubChem CID
- 290787
- DTXSID
DTXSID70302907- ChEMBL
CHEMBL1491251- EC Number
- 890-054-9
- Nikkaji
- J1.539.433A
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 209
Experimental & physicochemical properties
Solubility0.7 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 97 to · 97.0 to 101.0 °C
- Boiling point
- 368.8 · 368.8±34.0 °C(Predicted)
- Density
- 1.349 · 1.349±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 0.94 · 0.94±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-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.
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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers34 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
Compound Net Biotechnology Inc.15266686121 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
深圳康特腾科技有限公司86-0755-86635001 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
郑州萃智医药科技有限公司19943855286 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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