Basic information
- CAS
2941-69-7- Standard SMILES
COc1ccc2sc(C)nc2c1- InChIKey
SAQMNBWVOKYKPZ-UHFFFAOYSA-N- Molecular formula
- C9H9NOS
- Average molar mass
- 179.24 g/mol
- Monoisotopic mass
- 179.04048508
Names & identifiers
- Preferred name
- 5-Methoxy-2-methylbenzothiazole
- IUPAC
- 5-methoxy-2-methyl-1,3-benzothiazole
- English name
- 5-Methoxy-2-methylbenzothiazole
- Molecular formula
- C9H9NOS
- Molecular weight
- 179.24
Names & synonyms
5-Methoxy-2-methylbenzothiazole5-methoxy-2-methyl-1,3-benzothiazoleBenzothiazole, 5-methoxy-2-methyl-X3XTQ4YUR3EINECS 220-929-7DTXSID4062723RefChem:103028DTXCID1037981220-929-7InChI=1/C9H9NOS/c1-6-10-8-5-7(11-2)3-4-9(8)12-6/h3-5H,1-2HSAQMNBWVOKYKPZ-UHFFFAOYSA-N2941-69-7
Show more names
5-methoxy-2-methyl-benzothiazol2-METHYL-5-METHOXY-BENZOTHIAZOLEBenzothiazole,5-methoxy-2-methyl-5-Methoxy-2-methylbenzothiazole>5-Methoxy-2-methylbenzothiazole,98%2-METHYL- 5C METHOXY- BENZOTHIAZOLE1-(decylthio)sulfonyl-4-methylbenzene
5-Methoxy-2-methylbenzo[d]thiazoleMFCD000826642-Methyl-5-methoxybenzothiazoleUNII-X3XTQ4YUR3Cambridge id 5150005SCHEMBL95066SCHEMBL95067orb3029785
Database identifiers
- CAS
2941-69-7- PubChem CID
- 76252
- DTXSID
DTXSID4062723- ChEMBL
CHEMBL5491039- UNII
- X3XTQ4YUR3
- EC Number
- 220-929-7
- Nikkaji
- J306.865J
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Melting point
- 36 · 36-40 °C(lit.)
- Boiling point
- 135 °C · 135 °C / 3mmHg
- Density
- 1.1784 · 1.1784 (rough estimate)
- refractive index
- 1.61 · 1.6100
- Flash point
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- form
- Chunks
- pka
- 2.24 · 2.24±0.10(Predicted)
- color
- Light brown-green semi-transparent
- BRN
- 124232 · 124232
- CAS DataBase Reference
- 2941 · 2941-69-7(CAS DataBase Reference)
- FDA UNII
- 3 XTQ4YUR3 · X3XTQ4YUR3
- NIST Chemistry Reference
- 5 · Benzothiazole, 5-methoxy-2-methyl-(2941-69-7)
- EPA Substance Registry System
- 5 · Benzothiazole, 5-methoxy-2-methyl- (2941-69-7)
- Symbol(GHS)
- 7 · GHS07
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
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29342080
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzothiazole, 5-methoxy-2-methyl-: INACTIVE
Suppliers67 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
环生美森医药技术（山东）有限公司0531-88762217 18301471076 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Related reactions
5 records
Compound notes
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