Cas no 68704-89-2 (4,4'-(hexane-1,6-diyldisulfanediyl)bis(2-aminobutan-1-ol))
68704-89-2 structure
Product Name:4,4'-(hexane-1,6-diyldisulfanediyl)bis(2-aminobutan-1-ol)
CAS No:68704-89-2
MF:C14H32N2O2S2
MW:324.546081542969
CID:1731005
PubChem ID:3052363
Update Time:2025-04-21
4,4'-(hexane-1,6-diyldisulfanediyl)bis(2-aminobutan-1-ol) Chemical and Physical Properties
Names and Identifiers
-
- 4,4'-(hexane-1,6-diyldisulfanediyl)bis(2-aminobutan-1-ol)
- 2-amino-4-[6-(3-amino-4-hydroxybutyl)sulfanylhexylsulfanyl]butan-1-ol
- Diamino-2,15-dithia-5,12-hexadecandiol-1,16
- SCHEMBL11514492
- 4,4'-(1,6-Hexanediylbis(thio))bis(2-amino-1-butanol)
- 1-Butanol, 4,4'-(1,6-hexanediylbis(thio))bis(2-amino-
- DTXSID50988405
- 68704-89-2
- Diamino-2,15-dithia-5,12-hexadecandiol-1,16 [German]
- 2,15-Diamino-5,12-dithia-1,16-hexadecanediol
-
- Inchi： 1S/C14H32N2O2S2/c15-13(11-17)5-9-19-7-3-1-2-4-8-20-10-6-14(16)12-18/h13-14,17-18H,1-12,15-16H2
- InChI Key： VSGJBAQNKMPHCI-UHFFFAOYSA-N
- SMILES： S(CCC(CO)N)CCCCCCSCCC(CO)N
Computed Properties
- Exact Mass: 324.19052061g/mol
- Monoisotopic Mass: 324.19052061g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 20
- Rotatable Bond Count: 15
- Complexity: 180
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.6
- Topological Polar Surface Area: 143?2
4,4'-(hexane-1,6-diyldisulfanediyl)bis(2-aminobutan-1-ol) Related Literature
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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