Cas no 174503-48-1 (6-chloro-2-(methylsulfanyl)-5-(naphthalen-2-yloxy)-1H-benzimidazole)
174503-48-1 structure
Product Name:6-chloro-2-(methylsulfanyl)-5-(naphthalen-2-yloxy)-1H-benzimidazole
CAS No:174503-48-1
MF:C18H13ClN2OS
MW:340.826621770859
CID:1359757
PubChem ID:581705
Update Time:2025-04-20
6-chloro-2-(methylsulfanyl)-5-(naphthalen-2-yloxy)-1H-benzimidazole Chemical and Physical Properties
Names and Identifiers
-
- 6-chloro-2-(methylsulfanyl)-5-(naphthalen-2-yloxy)-1H-benzimidazole
- 6-chloro-2-methylsulfanyl-5-naphthalen-2-yloxy-1H-benzimidazole
- 5-Chloro-2-(methylthio)-6-(2-naphthalenyloxy)-1H-benzimidazole
- 6-Chloro-2-(methylsulfanyl)-1H-benzimidazol-5-yl 2-naphthyl ether #
- 5-chloro-2-(methylsulfanyl)-6-(naphthalen-2-yloxy)-1H-1,3-benzodiazole
- TimTec1_003523
- HMS1544A03
- AKOS024281679
- Benzimidazole, 6-chloro-2-methylthio-5-(2-naphthyloxy)-
- DTXSID10169839
- CXAMQNQDJFZVFJ-UHFFFAOYSA-N
- 174503-48-1
- BRD-K06931542-001-01-8
- SR-01000529033
- G 1609
- SR-01000529033-1
- 1H-Benzimidazole, 5-chloro-2-(methylthio)-6-(2-naphthalenyloxy)-
- 5-Chloro-2-(methylthio)-6-(naphthalen-2-yloxy)-1H-benzo[d]imidazole
- Oprea1_376588
-
- Inchi： 1S/C18H13ClN2OS/c1-23-18-20-15-9-14(19)17(10-16(15)21-18)22-13-7-6-11-4-2-3-5-12(11)8-13/h2-10H,1H3,(H,20,21)
- InChI Key： CXAMQNQDJFZVFJ-UHFFFAOYSA-N
- SMILES： ClC1=CC2=C(C=C1OC1=CC=C3C=CC=CC3=C1)N=C(N2)SC
Computed Properties
- Exact Mass: 340.04389
- Monoisotopic Mass: 340.0437119g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 23
- Rotatable Bond Count: 3
- Complexity: 413
- 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: 5.7
- Topological Polar Surface Area: 63.2?2
Experimental Properties
- PSA: 37.91
6-chloro-2-(methylsulfanyl)-5-(naphthalen-2-yloxy)-1H-benzimidazole Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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