Cas no 32386-31-5 (Acetic acid,2,2'-[1,5-pentanediylbis(thio)]bis-)
32386-31-5 structure
Product Name:Acetic acid,2,2'-[1,5-pentanediylbis(thio)]bis-
CAS No:32386-31-5
MF:C9H16O4S2
MW:252.350940704346
CID:322536
PubChem ID:330592
Update Time:2025-04-19
Acetic acid,2,2'-[1,5-pentanediylbis(thio)]bis- Chemical and Physical Properties
Names and Identifiers
-
- Acetic acid,2,2'-[1,5-pentanediylbis(thio)]bis-
- (pentamethylenedithio)diacetic acid
- 2-[5-(carboxymethylsulfanyl)pentylsulfanyl]acetic acid
- ST50980139
- 2-[5-(carboxymethylthio)pentylthio]acetic acid
- 32386-31-5
- DTXSID50317655
- NSC-319673
- SCHEMBL2807324
- AKOS024353840
- NSC319673
-
- Inchi: 1S/C9H16O4S2/c10-8(11)6-14-4-2-1-3-5-15-7-9(12)13/h1-7H2,(H,10,11)(H,12,13)
- InChI Key: CYHDWXPTWDSXTP-UHFFFAOYSA-N
- SMILES: S(CC(=O)O)CCCCCSCC(=O)O
Computed Properties
- Exact Mass: 252.049
- Monoisotopic Mass: 252.049
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 10
- Complexity: 177
- 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: 1.8
- Topological Polar Surface Area: 125?2
Experimental Properties
- Density: 1.298
- Boiling Point: 448.6°Cat760mmHg
- Flash Point: 225.1°C
- Refractive Index: 1.56
Acetic acid,2,2'-[1,5-pentanediylbis(thio)]bis- Related Literature
-
Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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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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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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