Home Other Building Blocks (S)-(+)-2-Heptyl isothiocyanate

(S)-(+)-2-Heptyl isothiocyanate

CAS No.:
737000-94-1
Catalog Number:
AG003CGN
Molecular Formula:
C8H15NS
Molecular Weight:
157.2764
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$100
- +
1g
95%
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG003CGN
Chemical Name:
(S)-(+)-2-Heptyl isothiocyanate
CAS Number:
737000-94-1
Molecular Formula:
C8H15NS
Molecular Weight:
157.2764
MDL Number:
MFCD05664052
IUPAC Name:
(2S)-2-isothiocyanatoheptane
InChI:
InChI=1S/C8H15NS/c1-3-4-5-6-8(2)9-7-10/h8H,3-6H2,1-2H3/t8-/m0/s1
InChI Key:
UPTLUDLHIIYPNC-QMMMGPOBSA-N
SMILES:
C[C@H](N=C=S)CCCCC
Properties
Complexity:
116  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
157.093g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.275g/mol
Monoisotopic Mass:
157.093g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Properties