Cas no 31913-93-6 (Benzamide,N-methyl-2-(phenylthio)-)
31913-93-6 structure
Product Name:Benzamide,N-methyl-2-(phenylthio)-
CAS No:31913-93-6
MF:C14H13NOS
MW:243.324122190475
CID:321269
PubChem ID:320119
Update Time:2025-04-19
Benzamide,N-methyl-2-(phenylthio)- Chemical and Physical Properties
Names and Identifiers
-
- Benzamide,N-methyl-2-(phenylthio)-
- N-methyl-2-phenylsulfanylbenzamide
- AC1L81M8
- BTB11485
- HMS1432N15
- Maybridge3_000653
- N1-methyl-2-(phenylthio)benzamide
- N-methyl-2-(phenylthio)benzamide
- N-Methyl-2-(phenylthio)-benzamide
- NSC266307
- penyl (2-methylaminocarbonylphenyl) sulfide
- NSC-266307
- DTXSID30313130
- SVISFQCKOJHBDJ-UHFFFAOYSA-N
- SCHEMBL11750773
- 31913-93-6
- IDI1_012040
-
- Inchi： 1S/C14H13NOS/c1-15-14(16)12-9-5-6-10-13(12)17-11-7-3-2-4-8-11/h2-10H,1H3,(H,15,16)
- InChI Key： SVISFQCKOJHBDJ-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1)C1C=CC=CC=1C(NC)=O
Computed Properties
- Exact Mass: 243.07189
- Monoisotopic Mass: 243.07178521g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 251
- 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: 2.8
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- PSA: 29.1
Benzamide,N-methyl-2-(phenylthio)- Related Literature
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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