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Home Fluorides 871828-95-4
871828-95-4,MFCD27922602
Catalog No.:AA00IECB

871828-95-4 | 1-(3,5-Bis(trifluoromethyl)phenyl)-3-((1r,2s)-2-hydroxy-2,3-dihydro-1h-inden-1-yl)thiourea

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100mg
97%
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$41.00   $29.00
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  • Downstream Synthesis Route
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  • Technical Information
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  • Downstream Synthesis Route
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Technical Information
Catalog Number:
AA00IECB
Chemical Name:
1-(3,5-Bis(trifluoromethyl)phenyl)-3-((1r,2s)-2-hydroxy-2,3-dihydro-1h-inden-1-yl)thiourea
CAS Number:
871828-95-4
Molecular Formula:
C18H14F6N2OS
Molecular Weight:
420.3720
MDL Number:
MFCD27922602
SMILES:
S=C(N[C@H]1[C@@H](O)Cc2c1cccc2)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Properties
Computed Properties
 
Complexity:
547  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
2  
XLogP3:
4.2  

Downstream Synthesis Route
136030-00-7    23165-29-9   
1-(3,5-bis(trifluoromethyl)phenyl)-3-((1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl)thiourea 

[1]Vallavoju,Nandini;Selvakumar,Sermadurai;Jockusch,Steffen;Prabhakaran,ManojThathamkulam;Sibi,MukundP.;Sivaguru,Jayaraman[AdvancedSynthesisandCatalysis,2014,vol.356,#13,p.2763-2768]

[2]Herrera,RaquelP.;Sgarzani,Valentina;Bernardi,Luca;Ricci,Alfredo[AngewandteChemie-InternationalEdition,2005,vol.44,#40,p.6576-6579]

[3]Sibi,MukundP.;Itoh,Kennosuke[JournaloftheAmericanChemicalSociety,2007,vol.129,#26,p.8064-8065]

[4]Lattanzi,Alessandra[Synlett,2007,#13,p.2106-2110]

[5]Abboud,KhalilA.;Kirm,Helmi-Ulrika;Leito,Ivo;Odagi,Minami;Saame,Jaan;Seidel,Daniel;Supantanapong,Nantamon;Xu,Weici;Zhu,Zhengbo[JournaloftheAmericanChemicalSociety,2020,vol.142,#36,p.15252-15258]

[1]Loh,CharlesC.J.;Badorrek,Jan;Raabe,Gerhard;Enders,Dieter[Chemistry-AEuropeanJournal,2011,vol.17,#48,p.13409-13414]

871828-95-4    814-29-9   
CASUnavailable 

[1]Nödling,AlexanderR.;Jakab,Gergely;Schreiner,PeterR.;Hilt,Gerhard[EuropeanJournalofOrganicChemistry,2014,vol.2014,#29,p.6394-6398]

67-66-3    136030-00-7    328-74-5   
1-(3,5-bis(trifluoromethyl)phenyl)-3-((1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl)thiourea 

[1]Tan,Wei;Wei,Jianpeng;Jiang,Xuefeng[OrganicLetters,2017,vol.19,#8,p.2166-2169]

[1]Abboud,KhalilA.;Kirm,Helmi-Ulrika;Leito,Ivo;Odagi,Minami;Saame,Jaan;Seidel,Daniel;Supantanapong,Nantamon;Xu,Weici;Zhu,Zhengbo[JournaloftheAmericanChemicalSociety,2020,vol.142,#36,p.15252-15258]

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Tags:871828-95-4 Molecular Formula|871828-95-4 MDL|871828-95-4 SMILES|871828-95-4 1-(3,5-Bis(trifluoromethyl)phenyl)-3-((1r,2s)-2-hydroxy-2,3-dihydro-1h-inden-1-yl)thiourea