Basic information
- CAS
55561-02-9- Standard SMILES
CC(C)(C)C(=O)S- InChIKey
JHSXHKMJBWOMRU-UHFFFAOYSA-N- Molecular formula
- C5H10OS
- Average molar mass
- 118.2 g/mol
- Monoisotopic mass
- 118.04523611
Names & identifiers
- Preferred name
- Trimethylthioacetic S-acid
- IUPAC
- 2,2-dimethylpropanethioic S-acid
- English name
- trimethylthioacetic S-acid
- Molecular formula
- C5H10OS
- Molecular weight
- 118.2
Names & synonyms
55561-02-9Trimethylthioacetic S-acidEINECS 259-708-5DTXSID50204117RefChem:899928DTXCID50126608259-708-5Thiopivalic acid2,2-dimethylpropanethioic S-acidthiopivaloic acidPropanethioic acid, 2,2-dimethyl-dimethylthio-propanoic acid
Show more names
Thiopivalic acid,97%2,2-Dimethylthiopropionic acid2,2-Dimethylpropanethioic acid
2,2-Dimethylpropanethioic o-acidSCHEMBL193558SCHEMBL193559SCHEMBL1196753SCHEMBL15421170FCA561022,2-Dimethylpropanethioic o-acid #AKOS006283051
Database identifiers
- CAS
55561-02-9- PubChem CID
- 545370
- DTXSID
DTXSID50204117- EC Number
- 259-708-5
- Nikkaji
- J267.028C
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 18.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 80.6
Physicochemical properties
- Boiling point
- 125 · 125-127 °C
- Density
- 0.966 · 0.966±0.06 g/cm3(Predicted)
- pka
- 5.05 · 5.05±0.10(Predicted)
- Symbol(GHS)
- 2 · GHS02,GHS05
- Signal word
- Danger
- Hazard statements
- 226 · H226-H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
- RIDADR
- 2920 · 2920
- HazardClass
- 8 · 8
- PackingGroup
- II
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H226 (95.6%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (95.6%)
Safety data
- ridadr
- 2920
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05
- hazard_class
- 8
- packing_group
- II
- Hazard statements
- H226-H314
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers21 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
湖北鑫源顺医药化工有限公司13971561712, 13995564702, 027-50664929 · [email protected]
诺尔凯立科技有限公司86-(0)21-31261262 373522135 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
上海博景化工有限公司021-37199966 13681836088 · [email protected]
河北贞佳新材料有限公司0319-5925599 13315915972 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
南京克罗托鲁宁医药科技有限公司13382066392
浙江寿尔福化工贸易有限公司0571-88906230 · [email protected]
海蔚化学86-21-51086038 · [email protected]
湖南永齐化工有限公司0731-85561035 13319583233 · [email protected]
广州远达新材料有限公司19849939632 19849939632 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
重庆卡兰医药有限公司[email protected]
湖北中隆康盛精细化工有限公司027-83850125 15927542930 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
CD Chemical Group Limited+86-13651442114 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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