Cas no 4567-45-7 (3-methylbenzo[b]naphtho[2,1-d]thiophene)
![3-methylbenzo[b]naphtho[2,1-d]thiophene structure](https://ossimg.kuujia.com/scimg/5000/4567-45-7x500.png)
4567-45-7 structure
Product Name:3-methylbenzo[b]naphtho[2,1-d]thiophene
CAS No:4567-45-7
MF:C17H12S
MW:248.342183113098
CID:1517046
PubChem ID:165249
Update Time:2025-04-21
3-methylbenzo[b]naphtho[2,1-d]thiophene Chemical and Physical Properties
Names and Identifiers
-
- 3-methylbenzo[b]naphtho[2,1-d]thiophene
- 3-Methylbenzo(b)naphtho(2,1-d)thiophene
- Benzo(b)naphtho(2,1-d)thiophene, 3-methyl-
- 3-methylnaphtho[1,2-b][1]benzothiole
- JESYLDJZJBANHW-UHFFFAOYSA-N
- 3-methylbenzo[b]naphtho[2,1-d]thiopene
- DTXSID50196583
- 4567-45-7
- Benzo[b]naphtho[2,1]thiophene, 3-methyl
- NS00095899
-
- Inchi： 1S/C17H12S/c1-11-6-8-13-12(10-11)7-9-15-14-4-2-3-5-16(14)18-17(13)15/h2-10H,1H3
- InChI Key： JESYLDJZJBANHW-UHFFFAOYSA-N
- SMILES： S1C2C=CC=CC=2C2C=CC3C=C(C)C=CC=3C1=2
Computed Properties
- Exact Mass: 248.06606
- Monoisotopic Mass: 248.066
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 18
- Rotatable Bond Count: 0
- Complexity: 313
- 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: 5.9
- Topological Polar Surface Area: 28.2?2
Experimental Properties
- Density: 1.257
- Boiling Point: 446.5°C at 760 mmHg
- Flash Point: 168.8°C
- Refractive Index: 1.781
- PSA: 0
3-methylbenzo[b]naphtho[2,1-d]thiophene Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
4567-45-7 (3-methylbenzo[b]naphtho[2,1-d]thiophene) Related Products
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