Basic information
- CAS
82068-12-0- Standard SMILES
O=C(O)CCNS(=O)(=O)c1cccs1- InChIKey
PGHCOXJSXMMPHU-UHFFFAOYSA-N- Molecular formula
- C7H9NO4S2
- Average molar mass
- 235.3 g/mol
- Monoisotopic mass
- 234.99730012
Names & identifiers
- Preferred name
- 3-(Thiophene-2-sulfonamido)propanoic acid
- IUPAC
- 3-(thiophen-2-ylsulfonylamino)propanoic acid
- English name
- 3-[(THIEN-2-YLSULFONYL)AMINO]PROPANOIC ACID
- Molecular formula
- C7H9NO4S2
- Molecular weight
- 235.28
Names & synonyms
3-(thiophene-2-sulfonamido)propanoic acid82068-12-0RefChem:496273993-135-83-[(thien-2-ylsulfonyl)amino]propanoic acid3-(thiophen-2-ylsulfonylamino)propanoic AcidN-(2-thienylsulfonyl)-beta-alanineMFCD04623545AKOS0002641363-(2-thienylsulfonylamino)propanoic acid3-(thiophene-2-sulfonamido)propanoicacidSY084623
Show more names
N-(2-Thienylsulfonyl)-β-alanineN-(Thien-2-ylsulfonyl)-β-alanineβ-Alanine, N-(2-thienylsulfonyl)-(THIEN-2-YLSULFONYL)AMINO]PROPANOIC ACID
CS-0221240EU-0099421EN300-08679G36385AQ-390/43363946F643817SR-01000592760SR-01000592760-1
Database identifiers
- CAS
82068-12-0- PubChem CID
- 758997
- EC Number
- 993-135-8
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 295
Physicochemical properties
- Boiling point
- 456.1 · 456.1±51.0 °C(Predicted)
- Density
- 1.497 · 1.497±0.06 g/cm3(Predicted)
- pka
- 4.19 · 4.19±0.10(Predicted)
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Suppliers6 total
常州探索化学有限公司15295164949 · [email protected]
常州探索化学有限公司+8615295164949 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海研邦医药科技有限公司15618536883 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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