Cas no 19355-98-7 ((4-isothiocyanatophenyl) 4-methylbenzoate)
19355-98-7 structure
Product Name:(4-isothiocyanatophenyl) 4-methylbenzoate
CAS No:19355-98-7
MF:C15H11NO2S
MW:269.318342447281
CID:908058
PubChem ID:283153
Update Time:2025-04-19
(4-isothiocyanatophenyl) 4-methylbenzoate Chemical and Physical Properties
Names and Identifiers
-
- (4-isothiocyanatophenyl) 4-methylbenzoate
- 4-isothiocyanatophenyl 4-methylbenzoate
- AC1L5Y1F
- AC1Q60YK
- AG-J-59688
- AR-1G3012
- CTK4E1286
- NSC137464
- NSC-137464
- DTXSID90300526
- 19355-98-7
-
- Inchi： 1S/C15H11NO2S/c1-11-2-4-12(5-3-11)15(17)18-14-8-6-13(7-9-14)16-10-19/h2-9H,1H3
- InChI Key： GATDYRMHVRYQJD-UHFFFAOYSA-N
- SMILES： S=C=NC1C=CC(=CC=1)OC(C1C=CC(C)=CC=1)=O
Computed Properties
- Exact Mass: 269.05113
- Monoisotopic Mass: 269.05104977g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 349
- 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: 5.1
- Topological Polar Surface Area: 70.8?2
Experimental Properties
- PSA: 38.66
- LogP: 3.94850
(4-isothiocyanatophenyl) 4-methylbenzoate Related Literature
-
Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
-
Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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