Basic information
- CAS
44826-45-1- Standard SMILES
O=C(O)CCS(=O)(=O)O- InChIKey
OURSFPZPOXNNKX-UHFFFAOYSA-N- Molecular formula
- C3H6O5S
- Average molar mass
- 154.14 g/mol
- Monoisotopic mass
- 153.99359446
Overview
3-sulfopropanoic acid is a carboxyalkanesulfonic acid that is the C-sulfo derivative of propanoic acid. It has a role as a metabolite. It is functionally related to a propionic acid.
Names & identifiers
- Preferred name
- 3-Sulfopropionic acid
- IUPAC
- 3-sulfopropanoic acid
- English name
- Propanoic acid, 3-sulfo-
- Molecular formula
- C3H6O5S
- Molecular weight
- 154.14
Names & synonyms
44826-45-1Propanoic acid, 3-sulfo-3-sulfopropionic acidCI1QNB6JPXNSC 22947DTXSID40212387NSC-22947RefChem:505312DTXCID401348783-Sulfopropanoic acid6306-41-8MFCD19347139
Show more names
Methanesulfonic Acid Impurity 17
3-SulfopropanoicacidNSC229473-sulfopropionateUNII-CI1QNB6JPX3-SPAC3H6O5SSCHEMBL513587SCHEMBL513632
Database identifiers
- CAS
44826-45-1、6306-41-8- PubChem CID
- 409694
- DTXSID
DTXSID40212387- ChEBI
CHEBI:74031- UNII
- CI1QNB6JPX
- Nikkaji
- J135.764F
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 185
Physicochemical properties
- Melting point
- 102 · 102-103 °C
- Density
- 1.689 · 1.689±0.06 g/cm3(Predicted)
- pka
- 1.1 · 1.10±0.50(Predicted)
- form
- Solid
- Symbol(GHS)
- 5 · GHS05,GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 302 · H302-H304-H315-H318-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P331-P332+P313-P362-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationPropanoic acid, 3-sulfo-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07,GHS08
- Hazard statements
- H302-H304-H315-H318-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P331-P332+P313-P362-P403+P233-P405-P501
Chemistry & industry
Applications
Uses3-Sulfopropanoic acid (3-Sulfopropionic acid) is a Endogenous metabolite product[1].
Suppliers22 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
济南德迈医药科技有限公司18669728830 15806766175 · [email protected]
重庆科脉材料科技有限公司13370757113 · [email protected]
上海翱跃化工科技有限公司021-021-64367138 15900495324 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
北京伊万景瑞生物科技有限公司15866847540 · [email protected]
安阳鸿蒙新材料有限公司0372-19588588067 19588588067 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
山东鸿图生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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