Cas no 22814-95-5 (Hydrazinecarbothioamide, N-(4-chlorophenyl)-2-phenyl-)
22814-95-5 structure
Product Name:Hydrazinecarbothioamide, N-(4-chlorophenyl)-2-phenyl-
CAS No:22814-95-5
MF:C13H12ClN3S
MW:277.772480010986
CID:1412092
PubChem ID:4685264
Update Time:2025-04-20
Hydrazinecarbothioamide, N-(4-chlorophenyl)-2-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Hydrazinecarbothioamide, N-(4-chlorophenyl)-2-phenyl-
- 4-(4-chloro-phenyl)-1-phenyl-thiosemicarbazide
- 4-(4-CHLOROPHENYL)-1-PHENYL-3-THIOSEMICARBAZIDE
- 22814-95-5
- AKOS024333635
- 1-anilino-3-(4-chlorophenyl)thiourea
- 1-Phenyl-4-(4-chlorophenyl)thiosemicarbazide
-
- Inchi： 1S/C13H12ClN3S/c14-10-6-8-11(9-7-10)15-13(18)17-16-12-4-2-1-3-5-12/h1-9,16H,(H2,15,17,18)
- InChI Key： HMXMVJBDDXZYBL-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)NC(NNC1C=CC=CC=1)=S
Computed Properties
- Exact Mass: 277.04426
- Monoisotopic Mass: 277.044
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 261
- 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
- Topological Polar Surface Area: 68.2A^2
- XLogP3: 4
Experimental Properties
- PSA: 36.09
Hydrazinecarbothioamide, N-(4-chlorophenyl)-2-phenyl- Related Literature
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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3. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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