Basic information
- CAS
82068-15-3- Standard SMILES
CC(C)C[C@H](NS(=O)(=O)c1cccs1)C(=O)O- InChIKey
GUFIXTKYQDLBNA-QMMMGPOBSA-N- Molecular formula
- C10H15NO4S2
- Average molar mass
- 277.4 g/mol
- Monoisotopic mass
- 277.04425031
Names & identifiers
- Preferred name
- N-(2-Thienylsulfonyl)-L-leucine
- IUPAC
- (2S)-4-methyl-2-(thiophen-2-ylsulfonylamino)pentanoic acid
- English name
- AKOS BC-3125
- Molecular formula
- C10H15NO4S2
- Molecular weight
- 277.36
Names & synonyms
N-(2-Thienylsulfonyl)-L-leucine82068-15-3N-(thiophene-2-sulfonyl)leucineDTXSID901305149N-(Thiophene-2-sulfonyl)-L-leucineAKOS010401192HY-W026928CS-0070952AKOS BC-3125N-(2-Thienylsulfonyl)leucine(thiophen-2-ylsulfonyl)leucineL-Leucine, N-(2-thienylsulfonyl)-
Database identifiers
- CAS
82068-15-3- PubChem CID
- 975690
- DTXSID
DTXSID901305149
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 361
Physicochemical properties
- Boiling point
- 451.7 · 451.7±51.0 °C(Predicted)
- Density
- 1.337 · 1.337±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 3.4 · 3.40±0.21(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Suppliers1 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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