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4430-42-6,MFCD00210791
Catalog No.:AA00DFIL

4430-42-6 | BERTEROIN

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5mg
≥95%
in stock  
$53.00   $37.00
- +
10mg
≥95%
in stock  
$93.00   $65.00
- +
25mg
≥95%
in stock  
$203.00   $142.00
- +
50mg
≥95%
in stock  
$356.00   $249.00
- +
500mg
≥97%
in stock  
$2,459.00   $1,722.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00DFIL
Chemical Name:
BERTEROIN
CAS Number:
4430-42-6
Molecular Formula:
C7H13NS2
Molecular Weight:
175.3148
MDL Number:
MFCD00210791
SMILES:
CSCCCCCN=C=S
FEMA Number:
4416
Properties
Computed Properties
 
Complexity:
108  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
6  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.3  

Literature

Title: Aroma compound analysis of Eruca sativa (Brassicaceae) SPME headspace leaf samples using GC, GC-MS, and olfactometry.

Journal: Journal of agricultural and food chemistry 20020731

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SDS
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Tags:4430-42-6 Molecular Formula|4430-42-6 MDL|4430-42-6 SMILES|4430-42-6 BERTEROIN
Catalog No.: AA00DFIL
4430-42-6,MFCD00210791
4430-42-6 | BERTEROIN
Pack Size： 5mg
Purity： ≥95%
in stock
$53.00 $37.00
Pack Size： 10mg
Purity： ≥95%
in stock
$93.00 $65.00
Pack Size： 25mg
Purity： ≥95%
in stock
$203.00 $142.00
Pack Size： 50mg
Purity： ≥95%
in stock
$356.00 $249.00
Pack Size： 500mg
Purity： ≥97%
in stock
$2,459.00 $1,722.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00DFIL
Chemical Name: BERTEROIN
CAS Number: 4430-42-6
Molecular Formula: C7H13NS2
Molecular Weight: 175.3148
MDL Number: MFCD00210791
SMILES: CSCCCCCN=C=S
FEMA Number: 4416
Properties
Complexity: 108  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 10  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 6  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.3  
Literature fold

Title: Aroma compound analysis of Eruca sativa (Brassicaceae) SPME headspace leaf samples using GC, GC-MS, and olfactometry.

Journal: Journal of agricultural and food chemistry20020731

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