Cas no 2678-29-7 (Ethanethioic acid,S,S'-1,6-hexanediyl ester (9CI))
2678-29-7 structure
Product Name:Ethanethioic acid,S,S'-1,6-hexanediyl ester (9CI)
CAS No:2678-29-7
MF:C10H18O2S2
MW:234.378720760345
CID:258180
PubChem ID:17585
Update Time:2025-04-19
Ethanethioic acid,S,S'-1,6-hexanediyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Ethanethioic acid,S,S'-1,6-hexanediyl ester (9CI)
- S-(6-acetylsulfanylhexyl) ethanethioate
- DTXSID90181291
- 2678-29-7
- Ethanethioic acid, S,S'-1,6-hexanediyl ester
- BRN 1776159
- ACETIC ACID, THIO-, S,S'-HEXAMETHYLENE ESTER
- 1,6-Hexanedithiol diacetate
- 4-02-00-00553 (Beilstein Handbook Reference)
- 1,6-Hexanedithiol, S,S'-diacetate
- SD 4965
-
- Inchi： 1S/C10H18O2S2/c1-9(11)13-7-5-3-4-6-8-14-10(2)12/h3-8H2,1-2H3
- InChI Key： CFIOOCBLOLNSED-UHFFFAOYSA-N
- SMILES： S(C(C)=O)CCCCCCSC(C)=O
Computed Properties
- Exact Mass: 234.07482216g/mol
- Monoisotopic Mass: 234.07482216g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 9
- Complexity: 161
- 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: 2.5
- Topological Polar Surface Area: 84.7?2
Ethanethioic acid,S,S'-1,6-hexanediyl ester (9CI) Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
2678-29-7 (Ethanethioic acid,S,S'-1,6-hexanediyl ester (9CI)) Related Products
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