Cas no 3746-40-5 (Acetic acid,2-mercapto-, nonyl ester)
3746-40-5 structure
Product Name:Acetic acid,2-mercapto-, nonyl ester
CAS No:3746-40-5
MF:C11H22O2S
MW:218.356182575226
CID:318887
PubChem ID:23882
Update Time:2025-04-19
Acetic acid,2-mercapto-, nonyl ester Chemical and Physical Properties
Names and Identifiers
-
- Acetic acid,2-mercapto-, nonyl ester
- nonyl 2-sulfanylacetate
- Acetic acid, mercapto-, nonyl ester
- Nonyl mercaptoacetate
- nonyl sulfanylacetate
- SCHEMBL1891774
- AKOS024334265
- DTXSID4063161
- EINECS 223-139-0
- NS00030198
- 3746-40-5
- Acetic acid, 2-mercapto-, nonyl ester
- YRIQTCODFIJDKE-UHFFFAOYSA-N
-
- Inchi： 1S/C11H22O2S/c1-2-3-4-5-6-7-8-9-13-11(12)10-14/h14H,2-10H2,1H3
- InChI Key： YRIQTCODFIJDKE-UHFFFAOYSA-N
- SMILES： SCC(=O)OCCCCCCCCC
Computed Properties
- Exact Mass: 218.13416
- Monoisotopic Mass: 218.134051
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 10
- Complexity: 137
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.3
- Topological Polar Surface Area: 27.3
Experimental Properties
- Density: 0.959
- Boiling Point: 294°Cat760mmHg
- Flash Point: 159°C
- Refractive Index: 1.462
- PSA: 26.3
Acetic acid,2-mercapto-, nonyl ester Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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