Cas no 30489-80-6 (Benzo[b]thiophene, 5-chloro-2-methyl-)
30489-80-6 structure
Product Name:Benzo[b]thiophene, 5-chloro-2-methyl-
CAS No:30489-80-6
MF:C9H7ClS
MW:182.669880151749
CID:1442917
PubChem ID:2747689
Update Time:2025-04-20
Benzo[b]thiophene, 5-chloro-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzo[b]thiophene, 5-chloro-2-methyl-
- TQP1610
- SCHEMBL144549
- 5-chloro-2-methylbenzo[b]thiophene
- 5-Chloro-2-methyl-benzo[b]thiophene
- 5-chloro-2-methylbenzothiophene
- 30489-80-6
- TZRLJRADEMLICJ-UHFFFAOYSA-N
-
- Inchi: 1S/C9H7ClS/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-5H,1H3
- InChI Key: TZRLJRADEMLICJ-UHFFFAOYSA-N
- SMILES: ClC1C=CC2=C(C=1)C=C(C)S2
Computed Properties
- Exact Mass: 181.99581
- Monoisotopic Mass: 181.996
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 149
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4
- Topological Polar Surface Area: 28.2?2
Experimental Properties
- PSA: 0
Benzo[b]thiophene, 5-chloro-2-methyl- Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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