Cas no 33949-90-5 ( )
structure
Product Name:
CAS No:33949-90-5
MF:C15H15N5OS2
MW:345.442499399185
CID:918602
PubChem ID:5033540
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- N-[(anilinocarbamothioylamino)carbamothioyl]benzamide
- 4-benzoyl-1-(N'-phenyl-hydrazinothiocarbonyl)-thiosemicarbazide
- AC1NMXPU
- AG-F-15014
- CTK4H1507
- N-[(ANILINOTHIOCARBAMOYLAMINO)THIOCARBAMOYL]BENZAMIDE
- NSC176373
- DTXSID70407668
- DS-011835
- 33949-90-5
- NSC-176373
-
-
- Inchi： 1S/C15H15N5OS2/c21-13(11-7-3-1-4-8-11)16-14(22)18-20-15(23)19-17-12-9-5-2-6-10-12/h1-10,17H,(H2,19,20,23)(H2,16,18,21,22)
- InChI Key： ZTFNMEHZZJOPIV-UHFFFAOYSA-N
- SMILES： S=C(NNC(NC(C1C=CC=CC=1)=O)=S)NNC1C=CC=CC=1
Computed Properties
- Exact Mass: 345.07205
- Monoisotopic Mass: 345.07180247g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 23
- Rotatable Bond Count: 3
- Complexity: 420
- 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: 3.8
- Topological Polar Surface Area: 141?2
Experimental Properties
- PSA: 77.22
- LogP: 3.33370
Related Literature
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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