Home Other Building Blocks (1S,2S)-(+)-2-Benzyloxycyclohexyl isothiocyanate

(1S,2S)-(+)-2-Benzyloxycyclohexyl isothiocyanate

CAS No.:
737000-89-4
Catalog Number:
AG003BIO
Molecular Formula:
C14H17NOS
Molecular Weight:
247.3559
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
In Stock USA
United States
$50
- +
1g
97%
In Stock USA
United States
$119
- +
Product Description
Catalog Number:
AG003BIO
Chemical Name:
(1S,2S)-(+)-2-Benzyloxycyclohexyl isothiocyanate
CAS Number:
737000-89-4
Molecular Formula:
C14H17NOS
Molecular Weight:
247.3559
MDL Number:
MFCD05664047
IUPAC Name:
[(1S,2S)-2-isothiocyanatocyclohexyl]oxymethylbenzene
InChI:
InChI=1S/C14H17NOS/c17-11-15-13-8-4-5-9-14(13)16-10-12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-10H2/t13-,14-/m0/s1
InChI Key:
DNRPSBSMXLYTQF-KBPBESRZSA-N
SMILES:
S=C=N[C@H]1CCCC[C@@H]1OCc1ccccc1
Properties
Complexity:
269  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
247.103g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.356g/mol
Monoisotopic Mass:
247.103g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Properties