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Fmoc-isothiocyanate

CAS No.:
199915-38-3
Catalog Number:
AG002CFR
Molecular Formula:
C16H11NO2S
Molecular Weight:
281.3290
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$237
- +
5g
95%
In Stock USA
United States
$672
- +
Product Description
Catalog Number:
AG002CFR
Chemical Name:
Fmoc-isothiocyanate
CAS Number:
199915-38-3
Molecular Formula:
C16H11NO2S
Molecular Weight:
281.3290
MDL Number:
MFCD01861169
IUPAC Name:
9H-fluoren-9-ylmethyl N-(sulfanylidenemethylidene)carbamate
InChI:
InChI=1S/C16H11NO2S/c18-16(17-10-20)19-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15H,9H2
InChI Key:
DHMYULZVFHHEHE-UHFFFAOYSA-N
SMILES:
S=C=NC(=O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
397  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.051g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.329g/mol
Monoisotopic Mass:
281.051g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1  
Properties