Cas no 919474-69-4 (Heptane, 3-ethyl-3-isothiocyanato-)
919474-69-4 structure
Product Name:Heptane, 3-ethyl-3-isothiocyanato-
CAS No:919474-69-4
MF:C10H19NS
MW:185.329561471939
CID:763093
PubChem ID:71425100
Update Time:2025-04-19
Heptane, 3-ethyl-3-isothiocyanato- Chemical and Physical Properties
Names and Identifiers
-
- Heptane, 3-ethyl-3-isothiocyanato-
- 3-ethyl-3-isothiocyanatoheptane
- DTXSID10843889
- 919474-69-4
-
- Inchi： 1S/C10H19NS/c1-4-7-8-10(5-2,6-3)11-9-12/h4-8H2,1-3H3
- InChI Key： KNBYLCUGXWNUDU-UHFFFAOYSA-N
- SMILES： S=C=NC(CC)(CC)CCCC
Computed Properties
- Exact Mass: 185.12382078g/mol
- Monoisotopic Mass: 185.12382078g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 6
- Complexity: 155
- 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: 5
- Topological Polar Surface Area: 44.4?2
Heptane, 3-ethyl-3-isothiocyanato- Related Literature
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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5. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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