Cas no 29053-37-0 (Disulfide,bis[(hexahydro-4-isopropyl-1H-1,4-diazepin-1-yl)thiocarbonyl] (8CI))
29053-37-0 structure
Product Name:Disulfide,bis[(hexahydro-4-isopropyl-1H-1,4-diazepin-1-yl)thiocarbonyl] (8CI)
CAS No:29053-37-0
MF:C18H34N4S4
MW:434.749358654022
CID:271499
PubChem ID:34448
Update Time:2025-04-19
Disulfide,bis[(hexahydro-4-isopropyl-1H-1,4-diazepin-1-yl)thiocarbonyl] (8CI) Chemical and Physical Properties
Names and Identifiers
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- Disulfide,bis[(hexahydro-4-isopropyl-1H-1,4-diazepin-1-yl)thiocarbonyl] (8CI)
- (4-propan-2-yl-1,4-diazepane-1-carbothioyl)sulfanyl 4-propan-2-yl-1,4-diazepane-1-carbodithioate
- DISULFIDE, BIS((HEXAHYDRO-4-ISOPROPYL-1H-1,4-DIAZEPIN-1-YL)THIOCARBONYL)
- 29053-37-0
- BRN 0574483
- Bis((hexahydro-4-isopropyl-1H-1,4-diazepin-1-yl)thiocarbonyl)disulfide
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- Inchi: 1S/C18H34N4S4/c1-15(2)19-7-5-9-21(13-11-19)17(23)25-26-18(24)22-10-6-8-20(12-14-22)16(3)4/h15-16H,5-14H2,1-4H3
- InChI Key: PDSBJVXVDCGRNL-UHFFFAOYSA-N
- SMILES: S(C(N1CCCN(C(C)C)CC1)=S)SC(N1CCCN(C(C)C)CC1)=S
Computed Properties
- Exact Mass: 434.16663
- Monoisotopic Mass: 434.16663
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 26
- Rotatable Bond Count: 5
- Complexity: 430
- 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: 128
- XLogP3: 3.6
Experimental Properties
- Density: 1.202
- Boiling Point: 516.1°C at 760 mmHg
- Flash Point: 265.9°C
- Refractive Index: 1.612
Disulfide,bis[(hexahydro-4-isopropyl-1H-1,4-diazepin-1-yl)thiocarbonyl] (8CI) 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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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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