Basic information
- CAS
16378-06-6- Standard SMILES
O=C(O)CCc1ccsc1- InChIKey
YUSDDNTYMDWOCY-UHFFFAOYSA-N- Molecular formula
- C7H8O2S
- Average molar mass
- 156.2 g/mol
- Monoisotopic mass
- 156.0245005
Names & identifiers
- Preferred name
- 3-(Thiophen-3-yl)propanoic acid
- IUPAC
- 3-thiophen-3-ylpropanoic acid
- English name
- 3-Thien-3-ylpropanoic acid
- Molecular formula
- C7H8O2S
- Molecular weight
- 156.2
Names & synonyms
3-(thiophen-3-yl)propanoic acidRefChem:496271842-404-716378-06-63-(3-thienyl)propanoic acid3-thiophenepropanoic acid3-thien-3-ylpropanoic acid3-thiophen-3-ylpropanoic acidMFCD06655385NSC-1094073-Thiophenepropanoicacid3-(3-Thienyl)propionic acid
Show more names
3-thien-3-yipro3-(Thiophen-3-yl)3-thien-3-yipropanoic acid3-(3-thiophenyl)propanoate3-(3-thienyl)propanoic acid 0.2H2O3-(3-thienyl)propanoic acid - [T83446]
3-(3-Thiophene)propanoic acid3-(Thiophen-3-yl)propanoicacid3-thiolpropionic acidT4WER4Q2E8SCHEMBL599876DTXSID90296450YUSDDNTYMDWOCY-UHFFFAOYSA-NHMS1748D01
Database identifiers
- CAS
16378-06-6- PubChem CID
- 268918
- DTXSID
DTXSID90296450- UNII
- T4WER4Q2E8
- EC Number
- 842-404-7
- Nikkaji
- J1.211.010C
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 125
Physicochemical properties
- Melting point
- 61 · 61-62 °C
- Boiling point
- 120 · 120-125 °C(Press: 5 Torr)
- Density
- 1.271 · 1.271±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 4.62 · 4.62±0.10(Predicted)
- Appearance
- Light brown to brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2934999090 · 2934999090
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
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers45 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
上海骏腾医药科技有限公司15900602605 15900602605 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
南京药石科技股份有限公司025-86918202 4000255188 · [email protected]
上海恩诺生物科技有限公司+86 (21) 6435-5022
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
上海思英化工科技有限公司021-64502386 18017349250 · [email protected]
Related reactions
4 records
Compound notes
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