Basic information
- CAS
90953-78-9- Standard SMILES
CC(C)(C(=O)O)c1cccs1- InChIKey
QBXCXYLPNGWZKI-UHFFFAOYSA-N- Molecular formula
- C8H10O2S
- Average molar mass
- 170.23 g/mol
Names & identifiers
- Preferred name
- 2-Methyl-2-(thiophen-2-yl)propanoic acid
- IUPAC
- 2-methyl-2-thiophen-2-ylpropanoic acid
- English name
- 2-methyl-2-(thiophen-2-yl)propanoic acid
- Molecular formula
- C8H10O2S
- Molecular weight
- 170.23
Names & synonyms
2-methyl-2-(thiophen-2-yl)propanoic acid90953-78-9RefChem:475145866-852-82-METHYL-2-(2-THIENYL)PROPANOIC ACID2-Methyl-2-thien-2-ylpropanoic acidMFCD135630342-methyl-2-thiophen-2-ylpropanoic acid2-methyl-2-thiophen-2-yl-propionic acid2-Thiopheneacetic acid, alpha,alpha-dimethyl-SCHEMBL130290SCHEMBL130768
Show more names
2-Thiopheneacetic acid, α,α-dimethyl-
SCHEMBL1492740QBXCXYLPNGWZKI-UHFFFAOYSA-NQDA95378AKOS0052646472-Methyl-2-(2-thienyl)propionic acidAT167292-methyl-2-(thiophen-2-yl)propanoicacidTS-02315
Database identifiers
- CAS
90953-78-9- PubChem CID
- 19084934
- EC Number
- 866-852-8
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Boiling point
- 279.7 · 279.7±15.0 °C(Predicted)
- Density
- 1.213 · 1.213±0.06 g/cm3(Predicted)
- pka
- 4.32 · 4.32±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers9 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
上海肯恩化学科技有限公司13701870891; 02152215958 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
12 records
Compound notes
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