Cas no 628725-97-3 (Benzo[b]thiophene-2-carbonyl chloride, 5-chloro-3-methyl-)
![Benzo[b]thiophene-2-carbonyl chloride, 5-chloro-3-methyl- structure](https://ossimg.kuujia.com/scimg/629000/628725-97-3x500.png)
628725-97-3 structure
Product Name:Benzo[b]thiophene-2-carbonyl chloride, 5-chloro-3-methyl-
CAS No:628725-97-3
MF:C10H6Cl2OS
MW:245.125039577484
CID:429467
PubChem ID:59626123
Update Time:2025-04-19
Benzo[b]thiophene-2-carbonyl chloride, 5-chloro-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzo[b]thiophene-2-carbonyl chloride, 5-chloro-3-methyl-
- 5-chloro-3-methyl-1-benzothiophene-2-carbonyl chloride
- SCHEMBL121489
- DTXSID90732525
- 628725-97-3
-
- Inchi： 1S/C10H6Cl2OS/c1-5-7-4-6(11)2-3-8(7)14-9(5)10(12)13/h2-4H,1H3
- InChI Key： KFVBYLFCLTWVTD-UHFFFAOYSA-N
- SMILES： ClC1C=CC2=C(C=1)C(C)=C(C(=O)Cl)S2
Computed Properties
- Exact Mass: 243.95178
- Monoisotopic Mass: 243.9516414g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 246
- 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: 4.8
- Topological Polar Surface Area: 45.3?2
Experimental Properties
- PSA: 17.07
Benzo[b]thiophene-2-carbonyl chloride, 5-chloro-3-methyl- Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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