Basic information
- CAS
627-04-3- Standard SMILES
CCSCC(=O)O- InChIKey
VJIKFWJCVWFZIN-UHFFFAOYSA-N- Molecular formula
- C4H8O2S
- Average molar mass
- 120.17 g/mol
- Monoisotopic mass
- 120.0245005
Names & identifiers
- Preferred name
- Ethylthioacetic acid
- IUPAC
- 2-ethylsulfanylacetic acid
- English name
- (ETHYLTHIO)ACETIC ACID
- Molecular formula
- C4H8O2S
- Molecular weight
- 120.17
Names & synonyms
(Ethylthio)acetic acidAcetic acid, (ethylthio)-Ethylthioacetic acid2-(Ethylthio)acetic acidCarboxymethyl ethyl sulfide(Ethylmercapto)acetic acidS-(Carboxymethyl)ethyl mercaptanAcetic acid, 2-(ethylthio)-UNII-M3D5Y724HZM3D5Y724HZEINECS 210-979-8NSC 75118
Show more names
(ethylthio)-aceticaciS-Ethylthioglycolic acid2-ethylsulfanylacetic acid2-ethylsulfanylethanoic acid
NSC-75118ETHYLSULFANYLACETIC ACID.alpha.-(Ethylthio)acetic acidDTXSID30608292-(ETHYLTHIO)ETHANOIC ACIDRefChem:139207alpha-(Ethylthio)acetic acidDTXCID9043487
Database identifiers
- CAS
627-04-3- PubChem CID
- 69387
- DTXSID
DTXSID3060829- UNII
- M3D5Y724HZ
- EC Number
- 210-979-8
- Nikkaji
- J101.088C
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 62.7
Physicochemical properties
- Melting point
- -8.5 ℃ · -8.5℃
- Boiling point
- 117 · 117-118°C 11mm
- Density
- 1.164 · 1.164±0.06 g/cm3 (20 ºC 760 Torr)
- refractive index
- 1.486 · 1.4860
- Flash point
- 117 · 117-118°C/11mm
- storage temp.
- 2 · Storage temp. 2-8°C
- form
- liquid
- pka
- 3.84 · 3.84±0.10(Predicted)
- Specific Gravity
- 1.149 · 1.149
- Appearance
- Colorless to light yellow Liquid
- BRN
- 1743038 · 1743038
- InChI
- InChI=1S/C4H8O2S/c1-2-7-3-4(5)6/h2-3H2,1H3,(H,5,6)
- InChIKey
- VJIKFWJCVWFZIN-UHFFFAOYSA-N
- SMILES
- C(O)(=O)CSCC
- LogP
- 1.164 · 1.164 (est)
- CAS DataBase Reference
- 627 · 627-04-3(CAS DataBase Reference)
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
H314 (13.6%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P337+P317, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (13.6%)
Safety data
- tsca
- TSCA listed
- ridadr
- 3265
- risk_code
- 34-36
- Signal word
- Warning
- Symbol(GHS)
- GHS05
- hazard_code
- Xi
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- packing_group
- II
- Hazard statements
- H227-H314-H318
- Precautionary statements
- P210e-P260h-P303+P361+P353-P305+P351+P338-P405-P501a
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetic acid, 2-(ethylthio)-: INACTIVE
Suppliers38 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
上海竺钥化工有限公司021-33559231 18964673308 · [email protected]
Related reactions
3 records
Compound notes
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