Cas no 62574-36-1 (2-Naphthalenecarbothioamide, 1-amino-)
62574-36-1 structure
Product Name:2-Naphthalenecarbothioamide, 1-amino-
CAS No:62574-36-1
MF:C11H10N2S
MW:202.275500774384
CID:439715
PubChem ID:12349111
Update Time:2025-04-19
2-Naphthalenecarbothioamide, 1-amino- Chemical and Physical Properties
Names and Identifiers
-
- 2-Naphthalenecarbothioamide, 1-amino-
- 1-aminonaphthalene-2-carbothioamide
- DTXSID50493140
- 62574-36-1
-
- Inchi： 1S/C11H10N2S/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6H,12H2,(H2,13,14)
- InChI Key： ZBWBFMNUAQVACX-UHFFFAOYSA-N
- SMILES： S=C(C1=CC=C2C=CC=CC2=C1N)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, 1-amino- Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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4. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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