Cas no 15398-69-3 (Disulfide,bis(4-isothiocyanatophenyl) (9CI))
15398-69-3 structure
Product Name:Disulfide,bis(4-isothiocyanatophenyl) (9CI)
CAS No:15398-69-3
MF:C14H8N2S4
MW:332.486717224121
CID:181837
PubChem ID:242961
Update Time:2025-04-19
Disulfide,bis(4-isothiocyanatophenyl) (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Disulfide,bis(4-isothiocyanatophenyl) (9CI)
- 1-isothiocyanato-4-[(4-isothiocyanatophenyl)disulfanyl]benzene
- 1,1'-Dithiobis(4-isothiocyanatobenzene)
- AC1L6AJM
- AC1Q7EX4
- AR-1I0328
- bis(4-isothiocyanatophenyl) disulfide
- CHEMBL120952
- CTK4C8062
- NSC52085
- NSC-52085
- DTXSID00165502
- 15398-69-3
- Disulfide, bis(4-isothiocyanatophenyl)
- ISOTHIOCYANIC ACID, DITHIODI-P-PHENYLENE ESTER
- SCHEMBL483870
- Y9AWX51EZT
- UNII-Y9AWX51EZT
- DIPHENYL DISULFIDE 4,4'-DIISOTHIOCYANATE
- NSC 52085
- DISULFIDE, BIS(P-ISOTHIOCYANATOPHENYL)
-
- Inchi: 1S/C14H8N2S4/c17-9-15-11-1-5-13(6-2-11)19-20-14-7-3-12(4-8-14)16-10-18/h1-8H
- InChI Key: IGFVJCSYXLNCHM-UHFFFAOYSA-N
- SMILES: S(C1C=CC(=CC=1)N=C=S)SC1C=CC(=CC=1)N=C=S
Computed Properties
- Exact Mass: 331.95724
- Monoisotopic Mass: 331.957
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 20
- Rotatable Bond Count: 5
- Complexity: 348
- 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: 6.8
- Topological Polar Surface Area: 140?2
Experimental Properties
- Density: 1.29
- Boiling Point: 493.9°Cat760mmHg
- Flash Point: 252.5°C
- Refractive Index: 1.691
- PSA: 24.72
- LogP: 5.95460
Disulfide,bis(4-isothiocyanatophenyl) (9CI) Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
-
Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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