Cas no 92547-48-3 (Thiourea, (3-butoxyphenyl)-)
Thiourea, (3-butoxyphenyl)- structure
Product Name:Thiourea, (3-butoxyphenyl)-
CAS No:92547-48-3
MF:C11H16N2OS
MW:224.322541236877
CID:753145
Update Time:2023-08-03
Thiourea, (3-butoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
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- Thiourea, (3-butoxyphenyl)-
- (3-butoxyphenyl)thiourea
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- Inchi： 1S/C11H16N2OS/c1-2-3-7-14-10-6-4-5-9(8-10)13-11(12)15/h4-6,8H,2-3,7H2,1H3,(H3,12,13,15)
- InChI Key： FCIADWVEZKCJCT-UHFFFAOYSA-N
- SMILES： S=C(N)NC1=CC=CC(=C1)OCCCC
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 199
- XLogP3: 2.6
- Topological Polar Surface Area: 79.4
Thiourea, (3-butoxyphenyl)- Related Literature
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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