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Home Other Building Blocks Isothiocyanic acid 4-penten-1-yl ester

Isothiocyanic acid 4-penten-1-yl ester

CAS No.:
18060-79-2
Catalog Number:
AG00225S
Molecular Formula:
C6H9NS
Molecular Weight:
127.2074
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
>95.0%(GC)
1 week
United States
$375
- +
5g
>95.0%(GC)
1 week
United States
$1074
- +
Product Description
Catalog Number:
AG00225S
Chemical Name:
Isothiocyanic acid 4-penten-1-yl ester
CAS Number:
18060-79-2
Molecular Formula:
C6H9NS
Molecular Weight:
127.2074
MDL Number:
MFCD00191527
IUPAC Name:
5-isothiocyanatopent-1-ene
InChI:
InChI=1S/C6H9NS/c1-2-3-4-5-7-6-8/h2H,1,3-5H2
InChI Key:
DBISBKDNOKIADM-UHFFFAOYSA-N
SMILES:
C=CCCCN=C=S
UNII:
HL8X1CRR9B
FEMA Number:
4427
Properties
Complexity:
103  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.046g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
127.205g/mol
Monoisotopic Mass:
127.046g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Literature
Title Journal
Male Phyllotreta striolata (F.) produce an aggregation pheromone: identification of male-specific compounds and interaction with host plant volatiles. Journal of chemical ecology 20110101
Chemical composition and antimicrobial activity of volatiles from Degenia velebitica, a European stenoendemic plant of the Brassicaceae family. Chemistry & biodiversity 20101101
Hexane extract of Raphanus sativus L. roots inhibits cell proliferation and induces apoptosis in human cancer cells by modulating genes related to apoptotic pathway. Plant foods for human nutrition (Dordrecht, Netherlands) 20100901
Evaluation of antibacterial activity of 3-butenyl, 4-pentenyl, 2-phenylethyl, and benzyl isothiocyanate in Brassica vegetables. Journal of food science 20100901
Properties