Basic information
- CAS
5465-67-8- Standard SMILES
CCOC(=O)CNS(=O)(=O)c1ccc(C)cc1- InChIKey
WZLAJHNLDCWPGH-UHFFFAOYSA-N- Molecular formula
- C11H15NO4S
- Average molar mass
- 257.31 g/mol
- Monoisotopic mass
- 257.07217913
Names & identifiers
- Preferred name
- Ethyl 2-(4-methylphenylsulfonamido)acetate
- IUPAC
- ethyl 2-[(4-methylphenyl)sulfonylamino]acetate
- English name
- NSC25824
- Molecular formula
- C11H15NO4S
- Molecular weight
- 257.31
Names & synonyms
5465-67-8ethyl 2-(4-methylphenylsulfonamido)acetateEthyl tosylglycinateNSC25824MFCD00441212ethyl 2-[(4-methylphenyl)sulfonylamino]acetateethyl n-tosylglycinateETHYL N-P-TOLYLSULFONYL-GLYCINATE(Toluene-4-sulfonylamino)-acetic acid ethyl esterethyl (((4-methylphenyl)sulfonyl)amino)acetateethyl {[(4-methylphenyl)sulfonyl]amino}acetateN-Ethoxycarbonylmethyl-p-toluenesulfonamide
Show more names
Ts-glycine ethyl esterethyl 2-(N-tosylamino)acetateN-Ts-glycineaminoacidethyl ester
ethyl N-[(4-methylphenyl)sulfonyl]glycinate(Tosylamino)acetic acid ethyl esterETHYL 2-(4-METHYLBENZENESULFONAMIDO)ACETATENSC-258242-(Tosylamino)acetic acid ethyl esterMLS000522022SCHEMBL257480Ethyl p-toluenesulfonyl glycine
Database identifiers
- CAS
5465-67-8- PubChem CID
- 230685
- DTXSID
DTXSID90969930- ChEMBL
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 339
Physicochemical properties
- Melting point
- 64 · 64-66 °C
- Boiling point
- 384.7 · 384.7±52.0 °C(Predicted)
- Density
- 1.229 · 1.229±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 9.25 · 9.25±0.50(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C11H15NO4S/c1-3-16-11(13)8-12-17(14,15)10-6-4-9(2)5-7-10/h4-7,12H,3,8H2,1-2H3
- InChIKey
- WZLAJHNLDCWPGH-UHFFFAOYSA-N
- SMILES
- C(OCC)(=O)CNS(C1=CC=C(C)C=C1)(=O)=O
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H312-H315-H319-H332-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers52 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
南京翔睿科技有限公司021-021-00000000 15715199582
上海药诚医药科技合伙企业（有限合伙）400-6181121 18616381138 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
芜湖诺威化学技术有限公司0553-8233716 18055326116 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
南京圣亿来化工有限公司19951936396 · [email protected]
NANJING YINGWEN BIOTECHNOLOGY CO LTD+86-13382787392 · [email protected]
菏泽博纳医药科技有限公司15865805009 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
上海法默生物科技有限公司02136680027 15800370750 · [email protected]
Related reactions
12 records
Compound notes
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