Cas no 2307-13-3 (dodecanethioic acid, S-heptyl ester)
2307-13-3 structure
Product Name:dodecanethioic acid, S-heptyl ester
CAS No:2307-13-3
MF:C19H38OS
MW:314.569425106049
CID:1413133
PubChem ID:129658552
Update Time:2025-04-20
dodecanethioic acid, S-heptyl ester Chemical and Physical Properties
Names and Identifiers
-
- dodecanethioic acid, S-heptyl ester
- S-Heptyl dodecanethioate
- LogP
- thio-dodecanoic acid S-heptyl ester
- DTXSID701030875
- 2307-13-3
-
- Inchi： 1S/C19H38OS/c1-3-5-7-9-10-11-12-13-15-17-19(20)21-18-16-14-8-6-4-2/h3-18H2,1-2H3
- InChI Key： LSZFTMLCWDMCQP-UHFFFAOYSA-N
- SMILES： S(C(CCCCCCCCCCC)=O)CCCCCCC
Computed Properties
- Exact Mass: 314.26454
- Monoisotopic Mass: 314.26433700g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 17
- Complexity: 216
- 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: 8.7
- Topological Polar Surface Area: 42.4?2
Experimental Properties
- Density: 0.89
- Boiling Point: 396.775°C at 760 mmHg
- Flash Point: 155.958°C
- Refractive Index: 1.467
- PSA: 17.07
dodecanethioic acid, S-heptyl ester Related Literature
-
Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
2307-13-3 (dodecanethioic acid, S-heptyl ester) Related Products
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