Cas no 351003-17-3 (Ethanethioic acid,S1,S1'-1,8-octanediyl ester)
351003-17-3 structure
Product Name:Ethanethioic acid,S1,S1'-1,8-octanediyl ester
CAS No:351003-17-3
MF:C12H22O2S2
MW:262.431881427765
CID:302882
PubChem ID:24879019
Update Time:2024-01-27
Ethanethioic acid,S1,S1'-1,8-octanediyl ester Chemical and Physical Properties
Names and Identifiers
-
- Ethanethioic acid,S1,S1'-1,8-octanediyl ester
- acetic acid,octane-1,8-dithiol
- 1,8-Octanedithiol diacetate
- octane-1,8-dithiol diacetate
- 1 8-OCTANEDITHIOL DIACETATE 97
- Ethanethioic acid, S1,S1'-1,8-octanediyl ester
-
- MDL： MFCD03427100
- Inchi： 1S/C12H22O2S2/c1-11(13)15-9-7-5-3-4-6-8-10-16-12(2)14/h3-10H2,1-2H3
- InChI Key： QJAYCBKJPCEYSJ-UHFFFAOYSA-N
- SMILES： C(=O)(C)SCCCCCCCCSC(=O)C
Computed Properties
- Exact Mass: 262.10600
- Monoisotopic Mass: 298.127
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 11
- Complexity: 183
- 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
- Surface Charge: 0
- XLogP3: 3.6
- Topological Polar Surface Area: 34.1
Experimental Properties
- Color/Form: solid
- Density: 1.054
- Melting Point: 37-41?°C (lit.)
- Boiling Point: 351.3°C at 760 mmHg
- Flash Point: >230?°F
- Refractive Index: 1.504
- PSA: 84.74000
- LogP: 3.88640
- Solubility: Not determined
Ethanethioic acid,S1,S1'-1,8-octanediyl ester Security Information
- Hazardous Material transportation number：NONH for all modes of transport
- WGK Germany：3
Ethanethioic acid,S1,S1'-1,8-octanediyl ester Customs Data
- HS CODE：2930909090
- Customs Data：
China Customs Code:
2930909090Overview:
2930909090. Other organic sulfur compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
Ethanethioic acid,S1,S1'-1,8-octanediyl ester Related Literature
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
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Xingjie Wu,Linzhu Zhou,Yue Su,Chang-Ming Dong J. Mater. Chem. B, 2016,4, 2142-2152
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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