Basic information
- CAS
6265-92-5- Standard SMILES
COc1ccc(-c2nc3ccccc3s2)cc1- InChIKey
AOPZIJQISHFZBN-UHFFFAOYSA-N- Molecular formula
- C14H11NOS
- Average molar mass
- 241.31 g/mol
- Monoisotopic mass
- 241.05613515
Names & identifiers
- Preferred name
- 2-(4-Methoxyphenyl)benzothiazole
- IUPAC
- 2-(4-methoxyphenyl)-1,3-benzothiazole
- English name
- 2-(4-Methoxyphenyl)benzothiazole
- Molecular formula
- C14H11NOS
- Molecular weight
- 241.31
Names & synonyms
2-(4-Methoxyphenyl)benzothiazole6265-92-5DTXSID60211711RefChem:1061286DTXCID90134202Benzothiazole, 2-(p-methoxyphenyl)-(6CI,7CI,8CI)2-(4-methoxyphenyl)-1,3-benzothiazole2-(4-Methoxyphenyl)benzo[d]thiazoleMFCD01099069Benzothiazole, 2-(4-methoxyphenyl)-Benzothiazole, 2-(p-methoxyphenyl)- (6CI,7CI,8CI)CHEMBL460508
Show more names
Brn 0176359AKOS BBS-000073354-(2-BENZOTHIAZOLYL)ANISOLE2-(4-methoxyphenyl)-benzothiazol2-(4-Methoxyphenyl)benzothiazole>2-(4-methoxyphenyl)-1,3-benzothiazole
HMS1526L16AKOS000273514NCGC00167617-02CS-12305SMR000284381M16542-(p-Methoxyphenyl)benzothiazole1-benzothiazol-2-yl-4-methoxybenzene
Database identifiers
- CAS
6265-92-5- PubChem CID
- 95753
- DTXSID
DTXSID60211711- ChEMBL
CHEMBL460508- Nikkaji
- J891.442G
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 253
Physicochemical properties
- Melting point
- 120 to · 120.0 to 124.0 °C
- solubility
- soluble in Toluene
- form
- powder to crystal
- color
- Light yellow to Yellow to Green
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- RTECS
- 5330000 · DL5330000
- HS Code
- 2933.39 · 2933.39.9200
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
- rtecs
- DL5330000
- hs_code
- 2933.39.9200
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers48 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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安徽合诺生物科技有限公司0555-2761852
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
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九鼎化学（上海）科技有限公司4009209199 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
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Related reactions
24 records
Compound notes
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