Cas no 96304-91-5 (Butanoic acid, 2-amino-4-(S-butylsulfonimidoyl)-, methyl ester)
96304-91-5 structure
Product Name:Butanoic acid, 2-amino-4-(S-butylsulfonimidoyl)-, methyl ester
CAS No:96304-91-5
MF:C9H20N2O3S
MW:236.331701278687
CID:734745
PubChem ID:15730770
Update Time:2025-04-19
Butanoic acid, 2-amino-4-(S-butylsulfonimidoyl)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid, 2-amino-4-(S-butylsulfonimidoyl)-, methyl ester
- methyl 2-amino-4-(butylsulfonimidoyl)butanoate
- DTXSID70577572
- Methyl 2-amino-4-[S-(butane-1-)sulfonimidoyl]butanoate
- 96304-91-5
-
- Inchi： 1S/C9H20N2O3S/c1-3-4-6-15(11,13)7-5-8(10)9(12)14-2/h8,11H,3-7,10H2,1-2H3
- InChI Key： XVCOTBQNVYDSMD-UHFFFAOYSA-N
- SMILES： S(CCCC)(CCC(C(=O)OC)N)(=N)=O
Computed Properties
- Exact Mass: 236.11946368g/mol
- Monoisotopic Mass: 236.11946368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 8
- Complexity: 298
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.5
- Topological Polar Surface Area: 102?2
Butanoic acid, 2-amino-4-(S-butylsulfonimidoyl)-, methyl ester Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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