Basic information
- CAS
682-91-7- Standard SMILES
CCSS(=O)(=O)CC- InChIKey
OICGFSUWXCJLCO-UHFFFAOYSA-N- Molecular formula
- C4H10O2S2
- Average molar mass
- 154.3 g/mol
- Monoisotopic mass
- 154.0122219
Overview
allicin analog
Names & identifiers
- Preferred name
- Ethylicin
- IUPAC
- 1-ethylsulfonylsulfanylethane
- English name
- Ethylicin
- Molecular formula
- C4H10O2S2
- Molecular weight
- 154.25
Names & synonyms
Ethylicin682-91-7S-Ethyl ethanethiosulfonateS-ethyl ethanesulfonothioateethanesulfonothioic acid, S-ethyl esterPseudoallicin 150Ethanethiosulfonic acid ethyl esterDTXSID20878708NSC 22422Ethanesulfonothioicacid, S-ethyl esterRefChem:139170DTXCID001016749
Show more names
ETHYLICIN(WXG01442)Ethylicin in AcetonitrileEthylicin Solution, 100ppmethyl ehtylsulfonothiolate
Ethyl ethanethiosulfonateInChI=1/C4H10O2S2/c1-3-7-8(5,6)4-2/h3-4H2,1-2H1-ethylsulfonylsulfanylethane[(ETHANESULFONYL)SULFANYL]ETHANE1-(ethylsulfonylthio)ethaneMFCD00186673NSC-22422Ethios
Database identifiers
- CAS
682-91-7- PubChem CID
- 229052
- DTXSID
DTXSID20878708- UNII
- UL7TBB3NYP
- EC Number
- 879-176-3
- Nikkaji
- J895.935H
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 131
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Boiling point
- 56 °C · 56 °C(Press: 0.2 Torr)
- Density
- 1.19 · 1.190±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- Chloroform
- form
- Oil
- color
- Colourless
- Stability
- Hygroscopic
- InChI
- InChI=1S/C4H10O2S2/c1-3-7-8(5,6)4-2/h3-4H2,1-2H3
- InChIKey
- OICGFSUWXCJLCO-UHFFFAOYSA-N
- SMILES
- C(S(SCC)(=O)=O)C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
GHS classification
GHS Classification
Warning
H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
UsesEthylicin can be used for quick rooting powder special for figs.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers77 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
中梦研（湖北）科技有限公司0717-6300888 18062399888 · [email protected]
上海超悦化学科技有限公司（原上海斯比德化学）21-65679720 · [email protected]
广州蒂嚎医药科技有限公司18602015453
福建盛世嘉泰药业有限公司13385921167
上海艾梯西生物科技有限公司18721763493
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
成都思天德生物科技有限公司028-83243028 19136088901 · [email protected]
南京生利德生物科技有限公司025-57798810 18652991625 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
康迪斯化工(湖北)有限公司13343438265 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
上海萄普生物医药技术有限公司15900573766 18018507602 · [email protected]
湖北玖丰隆化工有限公司13277936479 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466205 15377579727 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
山东朴石新材料有限公司13105464419 13105464419 · [email protected]
青岛莲鲤隆门科技有限公司17661777413 · [email protected]
启源（广东）医药化工有限公司18026564465 · [email protected]
上海前衍生物科技有限公司02781293128 · [email protected]
深圳市贝尔医药科技有限公司15891779443 · [email protected]
湖北齐飞医药化工有限公司027-59322506 18071128681 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
南京罗迈美生物科技有限公司[email protected]
上海依赫生物科技有限公司021-68882955 17721395025 · [email protected]
武汉曙欧科技有限公司17792809151;18872220797 · [email protected]
连云港轩源化工有限公司+86-0518-85415818 18000194506 · [email protected]
金锦乐(湖南)化学有限公司18001959627(微信同号) 18001959627 · [email protected]
佛山晟熠生物科技有限公司18064670521 · [email protected]
山东英朗化工有限公司15763463371 15265310975 · [email protected]
上海万千化工有限公司18796480002 18796480002 · [email protected]
武汉华玖医药科技有限公司027-59225746 18062681621 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466105 15377573527 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
山东千里宏生物科技股份有限公司0543-17705431882 13696309696 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
湖北兴银河化工有限公司13307112120;18702762747 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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