Basic information
- CAS
36212-66-5- Standard SMILES
Cc1ccc(S(=O)(=O)NC(CC(N)=O)C(=O)O)cc1- InChIKey
VZCCSZRICJFBSI-UHFFFAOYSA-N- Molecular formula
- C11H14N2O5S
- Average molar mass
- 286.31 g/mol
- Monoisotopic mass
- 286.06234272
Names & identifiers
- Preferred name
- 2-(Toluene-4-sulfonylamino)-succinamic acid
- IUPAC
- 4-amino-2-[(4-methylphenyl)sulfonylamino]-4-oxobutanoic acid
- English name
- 2-(Toluene-4-sulfonylamino)-succinamic acid
- Molecular formula
- C11H14N2O5S
- Molecular weight
- 286.31
Names & synonyms
2-(Toluene-4-sulfonylamino)-succinamic acid62743-18-4DTXSID50312802RefChem:254841DTXCID50263926tosylasparagine36212-66-5Tos-Asn-OH4-Amino-2-(4-methylphenylsulfonamido)-4-oxobutanoic acid4-amino-2-[(4-methylphenyl)sulfonylamino]-4-oxobutanoic acid3-carbamoyl-2-(4-methylbenzenesulfonamido)propanoic acid3-carbamoyl-2-{[(4-methylphenyl)sulfonyl]amino}propanoic acid
Show more names
TIMTEC-BB SBB012255Asparagine, N2-[(4-methylphenyl)sulfonyl]-
NSC263141NCIOpen2_005004Oprea1_410204MLS000074309SCHEMBL4041026CHEMBL1530676HMS2298N07NSC85419
Database identifiers
- CAS
36212-66-5、62743-18-4- PubChem CID
- 319319
- DTXSID
DTXSID50312802- ChEMBL
CHEMBL1530676
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 434
Physicochemical properties
- Boiling point
- 583.634 · 583.634±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.42 · 1.420±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.225 · 3.225±0.10(predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers11 total
北京华美互利生物化工010-56205725 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
江苏洪珉药业有限公司18221292452 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
Related reactions
2 records
Compound notes
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