Cas no 20243-54-3 (Thiocyanic acid,4-penten-1-yl ester)
20243-54-3 structure
Product Name:Thiocyanic acid,4-penten-1-yl ester
CAS No:20243-54-3
MF:C6H9NS
MW:127.207360029221
CID:240916
PubChem ID:14964968
Update Time:2025-04-19
Thiocyanic acid,4-penten-1-yl ester Chemical and Physical Properties
Names and Identifiers
-
- Thiocyanic acid,4-penten-1-yl ester
- 4-PENTENYL THIOCYANATE
- pent-4-enyl thiocyanate
- Thiocyanic acid,4-pentenyl ester
- Thiocyanicacid,4-pentenyl ester (8CI,9CI)
- 20243-54-3
- DTXSID80566179
- AKOS006290720
- Pent-4-en-1-yl thiocyanate
- Thiocyanic acid, 4-penten-1-yl ester
- 4-pent-enyl thiocyanate
-
- Inchi： 1S/C6H9NS/c1-2-3-4-5-8-6-7/h2H,1,3-5H2
- InChI Key： DDXWRFXSAYFRRE-UHFFFAOYSA-N
- SMILES： S(C#N)CCCC=C
Computed Properties
- Exact Mass: 127.04600
- Monoisotopic Mass: 127.04557046g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 4
- Complexity: 100
- 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: 2.4
- Topological Polar Surface Area: 49.1?2
Experimental Properties
- PSA: 49.09000
- LogP: 2.16688
Thiocyanic acid,4-penten-1-yl ester Related Literature
-
Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
-
Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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