Cas no 62574-38-3 (2-Naphthalenecarbothioamide, 3-amino-)
62574-38-3 structure
Product Name:2-Naphthalenecarbothioamide, 3-amino-
CAS No:62574-38-3
MF:C11H10N2S
MW:202.275500774384
CID:439713
PubChem ID:12349110
Update Time:2025-04-19
2-Naphthalenecarbothioamide, 3-amino- Chemical and Physical Properties
Names and Identifiers
-
- 2-Naphthalenecarbothioamide, 3-amino-
- 3-aminonaphthalene-2-carbothioamide
- DTXSID40493139
- 62574-38-3
-
- Inchi： 1S/C11H10N2S/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h1-6H,12H2,(H2,13,14)
- InChI Key： TZYXCRQDHQIYOQ-UHFFFAOYSA-N
- SMILES： S=C(C1C(=CC2C=CC=CC=2C=1)N)N
Computed Properties
- Exact Mass: 202.0566
- Monoisotopic Mass: 202.05646950g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 229
- 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: 2.5
- Topological Polar Surface Area: 84.1?2
Experimental Properties
- PSA: 52.04
2-Naphthalenecarbothioamide, 3-amino- Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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