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Home Other Building Blocks 40046-30-8
40046-30-8,MFCD00041082
Catalog No.:AA003IMB

40046-30-8 | 3,5-DIMETHYLPHENYL ISOTHIOCYANATE

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$57.00   $40.00
- +
5g
>97.0%(GC)
in stock  
$82.00   $57.00
- +
100g
≥97%
in stock  
$1,543.00   $1,080.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003IMB
Chemical Name:
3,5-DIMETHYLPHENYL ISOTHIOCYANATE
CAS Number:
40046-30-8
Molecular Formula:
C9H9NS
Molecular Weight:
163.2395
MDL Number:
MFCD00041082
SMILES:
S=C=Nc1cc(C)cc(c1)C
Properties
Properties
 
BP:
282.2°C at 760 mmHg  
Form:
Liquid  
Refractive Index:
1.619  
Stability:
Moisture Sensitive  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
162  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
4.1  

Downstream Synthesis Route

[1]Chaaban;Oji[JournaloftheIndianChemicalSociety,1984,vol.61,#6,p.523-525]

141-43-5    40046-30-8   
3-(3,5-dimethylphenyl)imidazolidine-2-thione 

[1]Hirashima,Akinori;Shinkai,Kenji;Kuwano,Eiichi;Taniguchi,Eiji;Eto,Morifusa[Bioscience,BiotechnologyandBiochemistry,1998,vol.62,#6,p.1179-1184]

[1]Bouayad-Gervais,Samir;Nielsen,ChristianD.-T.;Turksoy,Abdurrahman;Sperger,Theresa;Deckers,Kristina;Schoenebeck,Franziska[JournaloftheAmericanChemicalSociety,2022,vol.144,#13,p.6100-6106]

[2]Yan,Shunqi;Appleby,Todd;Gunic,Esmir;Shim,JaeHoon;Tasu,Tania;Kim,Hongwoo;Rong,Frank;Chen,Huaming;Hamatake,Robert;Wu,JimZ.;Hong,Zhi;Yao,Nanhua[BioorganicandMedicinalChemistryLetters,2007,vol.17,#1,p.28-33]

[3]Götz,KathrinH.;Hacker,StephanM.;Mayer,Daniel;Dürig,Jan-Niklas;Stenger,Steffen;Marx,Andreas[ACSChemicalBiology,2017,vol.12,#10,p.2682-2689]

[4]Rummel,Lars;Domanski,MarvinH.J.;Hausmann,Heike;Becker,Jonathan;Schreiner,PeterR.[AngewandteChemie-InternationalEdition,2022,vol.61,#29][Angew.Chem.,2022,vol.134,#29]

[1]Yan,Shunqi;Appleby,Todd;Gunic,Esmir;Shim,JaeHoon;Tasu,Tania;Kim,Hongwoo;Rong,Frank;Chen,Huaming;Hamatake,Robert;Wu,JimZ.;Hong,Zhi;Yao,Nanhua[BioorganicandMedicinalChemistryLetters,2007,vol.17,#1,p.28-33]

2627-86-3    40046-30-8   
N-(S)-alpha-methylbenzyl-N-(3,5-dimethylphenyl)thiourea 
  17356-08-0 

[1]CurrentPatentAssignee:THENUTRASWEETADELAWARE;NUTRASWEETCOMPANY;THENUTRASWEET;NUTORASUIITO-EP299533,1989,A2

Literature
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SDS
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