Cas no 102117-40-8 (3,5-bis(trifluoromethyl)sulfanylbenzoic acid)
102117-40-8 structure
Product Name:3,5-bis(trifluoromethyl)sulfanylbenzoic acid
CAS No:102117-40-8
MF:C9H4F6O2S2
MW:322.247281074524
MDL:MFCD00519677
CID:124916
PubChem ID:1584840
Update Time:2025-04-18
3,5-bis(trifluoromethyl)sulfanylbenzoic acid Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,3,5-bis[(trifluoromethyl)thio]-
- 3,5-bis(trifluoromethylsulfanyl)benzoic acid
- 3,5-bis(trifluoromethylthio)benzoic acid
- 3,5-bis-trifluoromethylthiobenzoic acid
- AC1LUMBI
- ACMC-20m54b
- AG-D-10474
- CTK4A0690
- 3,5-bis(trifluoromethyl)sulfanylbenzoic acid
- DTXSID10364524
- EN300-25591251
- 3,5-BIS((TRIFLUOROMETHYL)THIO)BENZOIC ACID
- ST50323870
- AT22920
- Z57117581
- 3,5-BIS[(TRIFLUOROMETHYL)SULFANYL]BENZOIC ACID
- AKOS002306213
- CS-0242837
- Benzoic acid, 3,5-bis[(trifluoromethyl)thio]-
- 102117-40-8
-
- MDL： MFCD00519677
- Inchi： 1S/C9H4F6O2S2/c10-8(11,12)18-5-1-4(7(16)17)2-6(3-5)19-9(13,14)15/h1-3H,(H,16,17)
- InChI Key： DURCDAJLTJWPKW-UHFFFAOYSA-N
- SMILES： S(C(F)(F)F)C1C=C(C(=O)O)C=C(C=1)SC(F)(F)F
Computed Properties
- Exact Mass: 321.95572
- Monoisotopic Mass: 321.95569069g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 306
- 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: 4.9
- Topological Polar Surface Area: 87.9?2
Experimental Properties
- Density: 1.67
- Melting Point: 103-105℃
- Boiling Point: 225.5°C at 760 mmHg
- Flash Point: 90.2°C
- Refractive Index: 1.524
- PSA: 37.3
- LogP: 4.60860
3,5-bis(trifluoromethyl)sulfanylbenzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-25591251-1g |
3,5-bis[(trifluoromethyl)sulfanyl]benzoic acid |
102117-40-8 | 95% | 1g |
$1357.0 | 2023-11-13 | |
| Enamine | EN300-25591251-5g |
3,5-bis[(trifluoromethyl)sulfanyl]benzoic acid |
102117-40-8 | 95% | 5g |
$3935.0 | 2023-11-13 | |
| Enamine | EN300-25591251-10g |
3,5-bis[(trifluoromethyl)sulfanyl]benzoic acid |
102117-40-8 | 95% | 10g |
$5837.0 | 2023-11-13 | |
| Enamine | EN300-25591251-0.05g |
3,5-bis[(trifluoromethyl)sulfanyl]benzoic acid |
102117-40-8 | 95% | 0.05g |
$315.0 | 2024-06-19 | |
| Enamine | EN300-25591251-0.1g |
3,5-bis[(trifluoromethyl)sulfanyl]benzoic acid |
102117-40-8 | 95% | 0.1g |
$470.0 | 2024-06-19 | |
| Enamine | EN300-25591251-0.25g |
3,5-bis[(trifluoromethyl)sulfanyl]benzoic acid |
102117-40-8 | 95% | 0.25g |
$672.0 | 2024-06-19 | |
| Enamine | EN300-25591251-0.5g |
3,5-bis[(trifluoromethyl)sulfanyl]benzoic acid |
102117-40-8 | 95% | 0.5g |
$1058.0 | 2024-06-19 | |
| Enamine | EN300-25591251-1.0g |
3,5-bis[(trifluoromethyl)sulfanyl]benzoic acid |
102117-40-8 | 95% | 1.0g |
$1357.0 | 2024-06-19 | |
| Enamine | EN300-25591251-2.5g |
3,5-bis[(trifluoromethyl)sulfanyl]benzoic acid |
102117-40-8 | 95% | 2.5g |
$2660.0 | 2024-06-19 | |
| Enamine | EN300-25591251-5.0g |
3,5-bis[(trifluoromethyl)sulfanyl]benzoic acid |
102117-40-8 | 95% | 5.0g |
$3935.0 | 2024-06-19 |
3,5-bis(trifluoromethyl)sulfanylbenzoic acid Related Literature
-
Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
-
Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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