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Home Other Building Blocks 505-79-3
505-79-3,MFCD00209521
Catalog No.:AA003I6N

505-79-3 | 3-(Methylthio)propyl isothiocyanate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$34.00   $24.00
- +
5g
98%
in stock  
$86.00   $60.00
- +
25g
98%
in stock  
$265.00   $185.00
- +
100g
98%
in stock  
$800.00   $560.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003I6N
Chemical Name:
3-(Methylthio)propyl isothiocyanate
CAS Number:
505-79-3
Molecular Formula:
C5H9NS2
Molecular Weight:
147.2617
MDL Number:
MFCD00209521
SMILES:
CSCCCN=C=S
FEMA Number:
3312
Properties
Properties
 
BP:
245.4°C at 760 mmHg  
Form:
Liquid  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
86.4  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
4  
XLogP3:
2.6  

Downstream Synthesis Route
505-79-3    66464-86-6   
1-(3-chlorophenyl)acetyl-4-(3-methylthio)propylthiosemicarbazide 

[1]Kaproń,Barbara;Łuszczki,JarogniewJ.;Płazińska,Anita;Siwek,Agata;Karcz,Tadeusz;Gryboś,Anna;Nowak,Gabriel;Makuch-Kocka,Anna;Walczak,Katarzyna;Langner,Ewa;Szalast,Karolina;Marciniak,Sebastian;Paczkowska,Magdalena;Cielecka-Piontek,Judyta;Ciesla,LukaszM.;Plech,Tomasz[EuropeanJournalofPharmaceuticalSciences,2019,vol.129,p.42-57]

505-79-3    66464-86-6   
5-(3-chlorobenzyl)-4-(3-methylthio)propyl-2,4-dihydro-3H-1,2,4-triazole-3-thione 

[1]Kaproń,Barbara;Łuszczki,JarogniewJ.;Płazińska,Anita;Siwek,Agata;Karcz,Tadeusz;Gryboś,Anna;Nowak,Gabriel;Makuch-Kocka,Anna;Walczak,Katarzyna;Langner,Ewa;Szalast,Karolina;Marciniak,Sebastian;Paczkowska,Magdalena;Cielecka-Piontek,Judyta;Ciesla,LukaszM.;Plech,Tomasz[EuropeanJournalofPharmaceuticalSciences,2019,vol.129,p.42-57]

[1]CurrentPatentAssignee:CHINESEACADEMYOFMEDICALSCIENCES-CN115466271,2022,ALocationinpatent:Paragraph0068-0071

Literature

Title: Transcript and protein profiling identify candidate gene sets of potential adaptive significance in New Zealand Pachycladon.

Journal: BMC evolutionary biology 20100101

Title: Chemical Investigation of Some Capparis Species Growing in Egypt and their Antioxidant Activity.

Journal: Evidence-based complementary and alternative medicine : eCAM 20070901

Title: Induction of phase II detoxification enzymes in rats by plant-derived isothiocyanates: comparison of allyl isothiocyanate with sulforaphane and related compounds.

Journal: Journal of agricultural and food chemistry 20040407

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SDS
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