Cas no 141184-30-7 (Benzene,1-butoxy-2-isothiocyanato-)
141184-30-7 structure
Product Name:Benzene,1-butoxy-2-isothiocyanato-
CAS No:141184-30-7
MF:C11H13NOS
MW:207.292021512985
CID:101817
PubChem ID:4558872
Update Time:2025-04-18
Benzene,1-butoxy-2-isothiocyanato- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1-butoxy-2-isothiocyanato-
- 1-Butoxy-2-isothiocyanatobenzene
- 2-Butyloxy-phenyl-isothiocyanat
- AC1NCH8O
- ACMC-1CD34
- AG-D-82098
- CTK4C2516
- o-n-Butoxyphenylisothiocyanate
- AKOS003211156
- butoxyphenylisothiocyanate
- SCHEMBL9362379
- 141184-30-7
- DTXSID20404248
- Benzene, 1-butoxy-2-isothiocyanato- (9CI)
-
- Inchi： 1S/C11H13NOS/c1-2-3-8-13-11-7-5-4-6-10(11)12-9-14/h4-7H,2-3,8H2,1H3
- InChI Key： ZNRKBBLPUOWVQZ-UHFFFAOYSA-N
- SMILES： S=C=NC1C=CC=CC=1OCCCC
Computed Properties
- Exact Mass: 207.07189
- Monoisotopic Mass: 207.07178521g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 202
- 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: 4.5
- Topological Polar Surface Area: 53.7?2
Experimental Properties
- PSA: 21.59
Benzene,1-butoxy-2-isothiocyanato- Related Literature
-
Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
141184-30-7 (Benzene,1-butoxy-2-isothiocyanato-) Related Products
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