Cas no 16281-60-0 (Hydrazinecarbothioamide,2-(2,3-dihydro-2-phenyl-4H-1-benzopyran-4-ylidene)-)
16281-60-0 structure
Product Name:Hydrazinecarbothioamide,2-(2,3-dihydro-2-phenyl-4H-1-benzopyran-4-ylidene)-
CAS No:16281-60-0
MF:C16H15N3OS
MW:297.374801874161
CID:228846
PubChem ID:9562299
Update Time:2025-04-19
Hydrazinecarbothioamide,2-(2,3-dihydro-2-phenyl-4H-1-benzopyran-4-ylidene)- Chemical and Physical Properties
Names and Identifiers
-
- Hydrazinecarbothioamide,2-(2,3-dihydro-2-phenyl-4H-1-benzopyran-4-ylidene)-
- [(E)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]thiourea
- 2-phenyl-chroman-4-one thiosemicarbazone
- CHEMBL2376005
- Flavanone, thiosemicarbazone
- NSC114647
- BDBM50491144
- NSC-114647
- 16281-60-0
- DTXSID10430273
-
- Inchi： 1S/C16H15N3OS/c17-16(21)19-18-13-10-15(11-6-2-1-3-7-11)20-14-9-5-4-8-12(13)14/h1-9,15H,10H2,(H3,17,19,21)/b18-13+
- InChI Key： NFSYORCWJJDWTH-QGOAFFKASA-N
- SMILES： S=C(N)N/N=C1/C2C=CC=CC=2OC(C2C=CC=CC=2)C/1
Computed Properties
- Exact Mass: 297.09375
- Monoisotopic Mass: 297.09358328g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 2
- Complexity: 406
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.7
- Topological Polar Surface Area: 91.7?2
Experimental Properties
- PSA: 59.64
- LogP: 3.83890
Hydrazinecarbothioamide,2-(2,3-dihydro-2-phenyl-4H-1-benzopyran-4-ylidene)- Related Literature
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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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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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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
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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