Cas no 7495-39-8 (2-Naphthalenecarboxylicacid, 1-(2-thienylcarbonyl)-)
7495-39-8 structure
Product Name:2-Naphthalenecarboxylicacid, 1-(2-thienylcarbonyl)-
CAS No:7495-39-8
MF:C16H10O3S
MW:282.313803195953
CID:580459
PubChem ID:348421
Update Time:2025-04-19
2-Naphthalenecarboxylicacid, 1-(2-thienylcarbonyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Naphthalenecarboxylicacid, 1-(2-thienylcarbonyl)-
- 1-(thiophene-2-carbonyl)naphthalene-2-carboxylic acid
- 1-(2-Thienoyl)-naphthoesaeure-2
- 1-(Thiophen-2-carbonyl)-[2]naphthoesaeure
- 1-(thiophene-2-carbonyl)-[2]naphthoic acid
- 1-(thiophene-2-carbonyl)-naphthalene-2-carboxylic acid
- AC1L89IU
- CTK2I0885
- NSC407706
- NSC-407706
- 7495-39-8
- DTXSID20324790
-
- Inchi： 1S/C16H10O3S/c17-15(13-6-3-9-20-13)14-11-5-2-1-4-10(11)7-8-12(14)16(18)19/h1-9H,(H,18,19)
- InChI Key： RNVNKKOIAMFZSL-UHFFFAOYSA-N
- SMILES： S1C=CC=C1C(C1=C(C(=O)O)C=CC2C=CC=CC1=2)=O
Computed Properties
- Exact Mass: 282.0351
- Monoisotopic Mass: 282.03506535g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 3
- Complexity: 395
- 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: 4.1
- Topological Polar Surface Area: 82.6?2
Experimental Properties
- PSA: 54.37
- LogP: 3.83050
2-Naphthalenecarboxylicacid, 1-(2-thienylcarbonyl)- Related Literature
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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