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Benzothiazole, 7-chloro-2-(methylthio)- (7CI,8CI,9CI) structure

Benzothiazole, 7-chloro-2-(methylthio)- (7CI,8CI,9CI)
  • CAS：2942-18-9
  • MW:215.72294
  • MF：C8H6ClNS2
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1. Names and Identifiers
1.1 Name
Benzothiazole, 7-chloro-2-(methylthio)- (7CI,8CI,9CI)
1.2 Synonyms
2-Mercaptomethyl-7-chlor-benzthiazol; 7-Chlor-2-methylmercapto-benzothiazol; 7-Chloro-2-(Methylthio)benzo[d]thiazole; 7-chloro-2-methylsulfanyl-benzothiazole;
1.3 CAS No.
2942-18-9
1.4 CID
12479780
1.5 Molecular Formula
C8H6ClNS2
1.6 Inchi
InChI=1S/C8H6ClNS2/c1-11-8-10-6-4-2-3-5(9)7(6)12-8/h2-4H,1H3
1.7 InChkey
XOQZYOLFJNHFFP-UHFFFAOYSA-N
1.8 Canonical Smiles
CSC1=NC2=C(S1)C(=CC=C2)Cl
1.9 Isomers Smiles
CSC1=NC2=C(S1)C(=CC=C2)Cl
2. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available
Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

View all
3. Synthesis Route
2942-18-9Total: 2 Synthesis Route
 
608-27-5
608-27-5 66 Suppliers
 
2942-18-9
2942-18-9 1 Suppliers
 
1849-73-6
1849-73-6 8 Suppliers
 
74-88-4
74-88-4
 
2942-18-9
2942-18-9 1 Suppliers
4. Precursor and Product
precursor:
1849-73-6
1849-73-6
608-27-5
608-27-5
5. Computed Properties
  • Molecular Weight：215.72294g/mol
  • Molecular Formula：C8H6ClNS2
  • Compound Is Canonicalized：True
  • Exact Mass：3.9
  • XLogP3-AA：214.9630192
  • Monoisotopic Mass：214.9630192
  • Complexity：167
  • Rotatable Bond Count：1
  • Hydrogen Bond Donor Count：0
  • Hydrogen Bond Acceptor Count：3
  • Topological Polar Surface Area：66.4
  • Heavy Atom Count：：12
  • 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：AAADcYByAABkAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHAYAAAAACAqBViCywbIIEAikASRiRACD8aBhDzgImDQwZpgIIKLhk5GEIAhggABIyAcQAAAAAAAAAAIAAYAAAAAABAADAAAAAAAAAA==
6. Toltal 1 Suppliers View more
7-Chloro-2-(methylthio)benzo[d]thiazole
Atomax Chemicals Co.,Ltd
  China
Tel: Update Time:2019/07/29
inquire
7. Realated Product Infomation
 
1. Names and Identifiers
2. Msds
3. Synthesis Route
4. Precursor and Product
5. Computational chemical data
6. Toltal 1 Suppliers
7. Realated Product Infomation
 
 
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