Cas no 5718-75-2 ((1R,4R,5R)-4,7,7-Trimethyl-6-thiabicyclo3.2.1octane)
5718-75-2 structure
Product Name:(1R,4R,5R)-4,7,7-Trimethyl-6-thiabicyclo3.2.1octane
CAS No:5718-75-2
MF:C10H18S
MW:170.314921855927
MDL:MFCD28397067
CID:372628
PubChem ID:125307478
Update Time:2025-04-19
(1R,4R,5R)-4,7,7-Trimethyl-6-thiabicyclo3.2.1octane Chemical and Physical Properties
Names and Identifiers
-
- 6-Thiabicyclo[3.2.1]octane,4,7,7-trimethyl-, (1R,4R,5R)-
- (1R,4R,5R)-4,7,7-Trimethyl-6-thiabicyclo[3.2.1]octane
- THIOCINEOLE
- THIOCINEOLE FEMA NO.--------
- exo-(-)-4,7,7-Trimethyl-6-thiabicyclo[3.2.1]octane
- Isothiocineole
- (1S,5R)-4,7,7-Trimethyl-6-thiabicyclo[3.2.1]octane
- A831340
- SCHEMBL18824826
- DTXSID001214858
- BS-44112
- T72640
- 5718-75-2
- AKOS015840338
- W-105483
- FAXNZPOZWCWYBD-IWSPIJDZSA-N
- (1R,4R,5R)-4,7,7-Trimethyl-6-thiabicyclo3.2.1octane
-
- MDL： MFCD28397067
- Inchi： 1S/C10H18S/c1-7-4-5-8-6-9(7)11-10(8,2)3/h7-9H,4-6H2,1-3H3/t7-,8-,9-/m1/s1
- InChI Key： FAXNZPOZWCWYBD-IWSPIJDZSA-N
- SMILES： S1C(C)(C)[C@@H]2CC[C@@H](C)[C@H]1C2
Computed Properties
- Exact Mass: 170.11300
- Monoisotopic Mass: 170.11292175g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 162
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 25.3
- XLogP3: 3.2
Experimental Properties
- Density: 0.941±0.06 g/cm3 (20 oC 760 Torr),
- Boiling Point: 84°C/5mmHg(lit.)
- Flash Point: Fahrenheit: 188.6 ° f < br / > Celsius: 87 ° C < br / >
- Refractive Index: 1.5160 to 1.5200
- Solubility: Very slightly soluble (0.1 g/l) (25 o C),
- PSA: 25.30000
- LogP: 3.46070
(1R,4R,5R)-4,7,7-Trimethyl-6-thiabicyclo3.2.1octane Security Information
-
Symbol:
- Prompt：warning
- Hazard Statement： H227
- Warning Statement： P210-P280-P370+P378-P403+P235-P501
- Hazardous Material transportation number：UN3082 - class 9 - PG 3 - DOT/IATA UN3334 - Environmentally hazardous substances, liquid, n.o.s., HI: all (not BR)
- WGK Germany：3
- Hazard Category Code： 50/53
- Safety Instruction： 60-61
-
Hazardous Material Identification：
- Storage Condition：2-8°C
(1R,4R,5R)-4,7,7-Trimethyl-6-thiabicyclo3.2.1octane Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | A601675-50mg |
(1R,4R,5R)-4,7,7-Trimethyl-6-thiabicyclo[3.2.1]octane |
5718-75-2 | 50mg |
$ 50.00 | 2022-06-08 | ||
| TRC | A601675-100mg |
(1R,4R,5R)-4,7,7-Trimethyl-6-thiabicyclo[3.2.1]octane |
5718-75-2 | 100mg |
$ 65.00 | 2022-06-08 | ||
| TRC | A601675-500mg |
(1R,4R,5R)-4,7,7-Trimethyl-6-thiabicyclo[3.2.1]octane |
5718-75-2 | 500mg |
$ 80.00 | 2022-06-08 | ||
| Chemenu | CM203533-25g |
(1R,4R,5R)-4,7,7-Trimethyl-6-thiabicyclo[3.2.1]octane |
5718-75-2 | 95% | 25g |
$537 | 2021-08-04 | |
| Chemenu | CM203533-5g |
(1R,4R,5R)-4,7,7-Trimethyl-6-thiabicyclo[3.2.1]octane |
5718-75-2 | 95% | 5g |
$*** | 2023-05-30 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R029797-1g |
(1R,4R,5R)-4,7,7-Trimethyl-6-thiabicyclo3.2.1octane |
5718-75-2 | 95% | 1g |
￥740 | 2023-07-11 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R029797-5g |
(1R,4R,5R)-4,7,7-Trimethyl-6-thiabicyclo3.2.1octane |
5718-75-2 | 95% | 5g |
￥2303 | 2023-07-11 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | R15720-5g |
(1R,4R,5R)-4,7,7-Trimethyl-6-thiabicyclo[3.2.1]octane |
5718-75-2 | 5g |
￥3188.0 | 2021-09-08 | ||
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | R15720-1g |
(1R,4R,5R)-4,7,7-Trimethyl-6-thiabicyclo[3.2.1]octane |
5718-75-2 | 1g |
￥808.0 | 2021-09-08 | ||
| TI XI AI ( SHANG HAI ) HUA CHENG GONG YE FA ZHAN Co., Ltd. | T2578-1G |
(1R,4R,5R)-4,7,7-Trimethyl-6-thiabicyclo[3.2.1]octane |
5718-75-2 | >94.0%(GC) | 1g |
￥290.00 | 2024-04-16 |
(1R,4R,5R)-4,7,7-Trimethyl-6-thiabicyclo3.2.1octane Related Literature
-
J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
-
Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
-
Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
5718-75-2 ((1R,4R,5R)-4,7,7-Trimethyl-6-thiabicyclo3.2.1octane) Related Products
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- 84415-79-2(6-Thiabicyclo(3.2.1)octane, 4,7,7-trimethyl-, endo-)
- 61860-22-8(6-Thiabicyclo[3.2.1]octane, 5-methyl-)
- 68398-18-5(6-Thiabicyclo[3.2.1]octane,4,7,7-trimethyl-)
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- 141636-88-6(Phenanthro[1,2-b]thiophene,1-[(1R)-1,5-dimethylhexyl]hexadecahydro-3a,6,6,9a,11a-pentamethyl-,(1R,3aS,3bR,5aS,9aR,9bS,11aR)-)
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