Cas no 69736-21-6 (Naphtho(2,1-b)thiophene, 1-methyl)
69736-21-6 structure
Product Name:Naphtho(2,1-b)thiophene, 1-methyl
CAS No:69736-21-6
MF:C13H10S
MW:198.283502101898
CID:2799411
PubChem ID:6428719
Update Time:2025-04-21
Naphtho(2,1-b)thiophene, 1-methyl Chemical and Physical Properties
Names and Identifiers
-
- 69736-21-6
- DTXSID00423856
- Naphtho[2,1-b]thiophene, 1-methyl
- DTXCID20374694
- Naphtho(2,1-b)thiophene, 1-methyl
- methylnaphthothiophene
-
- Inchi： 1S/C13H10S/c1-9-8-14-12-7-6-10-4-2-3-5-11(10)13(9)12/h2-8H,1H3
- InChI Key： WXEUSOFSFSDRLZ-UHFFFAOYSA-N
- SMILES： S1C=C(C)C2=C1C=CC1C=CC=CC2=1
Computed Properties
- Exact Mass: 198.05032149g/mol
- Monoisotopic Mass: 198.05032149g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 213
- 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: 4.6
- Topological Polar Surface Area: 28.2?2
Naphtho(2,1-b)thiophene, 1-methyl Related Literature
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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