Cas no 68867-21-0 (4-Amino-3-thiocyanatobenzonitrile)
68867-21-0 structure
Product Name:4-Amino-3-thiocyanatobenzonitrile
CAS No:68867-21-0
MF:C8H5N3S
MW:175.210399389267
CID:836054
PubChem ID:73012698
Update Time:2025-04-19
4-Amino-3-thiocyanatobenzonitrile Chemical and Physical Properties
Names and Identifiers
-
- 4-Amino-3-thiocyanatobenzonitrile
- 2-Amino-5-cyanophenyl thiocyanate
- Thiocyanic acid, 2-amino-5-cyanophenyl ester
- 4-cyano-2-thiocyanatoaniline
- 68867-21-0
- SCHEMBL2318636
-
- MDL： MFCD20694257
- Inchi： 1S/C8H5N3S/c9-4-6-1-2-7(11)8(3-6)12-5-10/h1-3H,11H2
- InChI Key： VACLLCFHXXWYQQ-UHFFFAOYSA-N
- SMILES： S(C#N)C1C=C(C#N)C=CC=1N
Computed Properties
- Exact Mass: 175.02041835g/mol
- Monoisotopic Mass: 175.02041835g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 246
- 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: 1.5
- Topological Polar Surface Area: 98.9?2
4-Amino-3-thiocyanatobenzonitrile Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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