Cas no 126740-31-6 (Propanoic acid,3-(heptylthio)-, ammonium salt (1:1))
126740-31-6 structure
Product Name:Propanoic acid,3-(heptylthio)-, ammonium salt (1:1)
CAS No:126740-31-6
MF:C10H23NO2S
MW:221.360121965408
CID:214545
PubChem ID:3079924
Update Time:2025-04-19
Propanoic acid,3-(heptylthio)-, ammonium salt (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid,3-(heptylthio)-, ammonium salt (1:1)
- azanium,3-heptylsulfanylpropanoate
- DTXSID60155282
- 3-(Heptylthio)propanoic acid ammonium salt
- Propanoic acid, 3-(heptylthio)-, ammonium salt
- 126740-31-6
-
- Inchi： 1S/C10H20O2S.H3N/c1-2-3-4-5-6-8-13-9-7-10(11)12;/h2-9H2,1H3,(H,11,12);1H3
- InChI Key： HNEMSGLSPXDBFE-UHFFFAOYSA-N
- SMILES： S(CCC(=O)[O-])CCCCCCC.[NH4+]
Computed Properties
- Exact Mass: 221.14509
- Monoisotopic Mass: 221.14495015g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 8
- Complexity: 121
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 66.4?2
Experimental Properties
- PSA: 76.63
Propanoic acid,3-(heptylthio)-, ammonium salt (1:1) Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
126740-31-6 (Propanoic acid,3-(heptylthio)-, ammonium salt (1:1)) Related Products
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