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5-Methylthianaphthene

CAS：14315-14-1
MW:148.223
MF：C9H8S

5-Methylthianaphthene, with the chemical formula C12H10S and CAS registry number 14315-14-1, is a compound known for its aromatic properties. This yellowish liquid, also referred to as 5-Methylbenzo[b]thiophene, is characterized by its methyl and thiophene functional groups. It is commonly used as a building block in the synthesis of various organic compounds, including pharmaceuticals and agrochemicals. 5-Methylthianaphthene exhibits a strong odor and is flammable. It is important to handle this compound with caution due to its potential health hazards. Further research is being conducted to explore its potential applications in different industries.

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Names and ldentifier
Properties
Use and Manufacturing
Msds
NMR Spectrum
Other Information
Computational chemical data
Realated Product Infomation

1. Names and Identifiers

1.1 Name: 5-Methylthianaphthene

1.2 Synonyms: 2(3H)-Benzothiazolone, 3a,7a-dihydro-3-methyl-; 3-Methyl-3a,7a-dihydro-1,3-benzothiazol-2(3H)-one; 5-METHYL-1-BENZOTHIOPHENE; 5-METHYLBENZO[B]THIOPHENE; 5-METHYLBENZOTHIOPHENE; Benzo[b]thiophene, 5-methyl-; Benzothiophene, 5-mehyl; BUTTPARK 33\04-62; EINECS 238-256-2; MFCD00052509;

1.3 CAS No.: 14315-14-1

1.4 CID: 84346

1.5 EINECS: 238-256-2

1.6 Molecular Formula: C9H8S

1.7 Inchi: InChI=1S/C9H8S/c1-7-2-3-9-8(6-7)4-5-10-9/h2-6H,1H3

1.8 InChkey: DOHZWDWNQFZIKH-UHFFFAOYSA-N

1.9 Canonical Smiles: CC1=CC2=C(C=C1)SC=C2

1.10 Isomers Smiles: CC1=CC2=C(C=C1)SC=C2

2. Properties

2.1 Λmax: 303nm(Hexane)(lit.)

2.2 Appearance: White Low Melting Mass

2.3 Storage: Ambient temperatures.

2.4 Chemical Properties: white low melting mass 5-Methylthianaphthene Preparation Products And Raw materials Raw materials

2.5 Color/Form: White

2.6 Water Solubility: Insoluble in water.

2.7 StorageTemp: Sealed in dry,2-8°C

3. Use and Manufacturing

3.1 Description

5-Methylthianaphthene, with the chemical formula C12H10S, has the CAS number 14315-14-1. It appears as a colorless to pale yellow liquid with a strong, pungent odor. The basic structure of 5-Methylthianaphthene consists of a thianaphthene ring with a methyl group attached to it. This compound is insoluble in water. Safety information regarding 5-Methylthianaphthene is not available.

Applicable Fields

5-Methylthianaphthene is mainly used as a building block in organic synthesis. Its purpose in this field involves its ability to undergo various chemical reactions to form more complex compounds. The mechanism of action in organic synthesis depends on the specific reaction being carried out.

Storage

ConditionsStore in a cool and dry place.

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4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H302 Harmful if swallowed
Precautionary statement(s)
Prevention	none
Response	none
Storage	none
Disposal	none

2.3 Other hazards which do not result in classification

none

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5. NMR Spectrum

Mass spectrum (electron ionization)

6. Synthesis Route

14315-14-1Total: 13 Synthesis Route

74-86-2 65 Suppliers

14315-14-1 39 Suppliers

106-45-6 65 Suppliers

14315-14-1 39 Suppliers

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7. Precursor and Product

precursor:

57860-45-4

56639-88-4

103-19-5

74-86-2

1505-62-0

65520-23-2

13616-73-4

106-45-6

51830-50-3

product:

10133-30-9

89816-55-7

1505-62-0

16587-51-2

8. Computed Properties

Molecular Weight：148.223g/mol
Molecular Formula：C₉H₈S
Compound Is Canonicalized：True
Exact Mass：3.3
XLogP3-AA：148.03467143
Monoisotopic Mass：148.03467143
Complexity：122
Rotatable Bond Count：0
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：1
Topological Polar Surface Area：28.2
Heavy Atom Count：：10
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADccBwAABAAAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAEgB8AAAGAQAAAAADACEWACyAcAAAAiEAiBCAAADAIAgCBBIiBgAAIgIICKgERCAIAAggAAoiAcAgMAOEAACAAAEAAAgAAQAAAgAAAAAAAAAAA==

9.Other Information

BRN: 109866

Chemical Properties: white low melting mass

Usage: 5-Methylbenzo[b]thiophene is useful in substituted thiophene for proteomics research.

10. Toltal 36 Suppliers View more

Factory Supply 5-Methylbenzo(b)thiophene

Amitychem Corporation

^1YR

Tel: Update Time:2023/06/28

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Dayang Chem (Hangzhou) Co., Ltd.

^1YR

Tel: Update Time:2024/06/17

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Shanghai Send Pharmaceutical Technology Co., Ltd

^1YR

Tel: Update Time:2024/11/15

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Atomax Chemicals Co.,Ltd

Tel: Update Time:2019/07/29

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Nanjing Chemlin Chemical Co., Ltd.

Tel: Update Time:2024/03/04

inquire

11. Realated Product Infomation