Home Other Building Blocks 4-isothiocyanato-3,4-dihydro-2H-1-benzopyran

4-isothiocyanato-3,4-dihydro-2H-1-benzopyran

CAS No.:
1249761-99-6
Catalog Number:
AG01AKSY
Molecular Formula:
C10H9NOS
Molecular Weight:
191.2496
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Product Description
Catalog Number:
AG01AKSY
Chemical Name:
4-isothiocyanato-3,4-dihydro-2H-1-benzopyran
CAS Number:
1249761-99-6
Molecular Formula:
C10H9NOS
Molecular Weight:
191.2496
MDL Number:
MFCD16739519
IUPAC Name:
4-isothiocyanato-3,4-dihydro-2H-chromene
InChI:
InChI=1S/C10H9NOS/c13-7-11-9-5-6-12-10-4-2-1-3-8(9)10/h1-4,9H,5-6H2
InChI Key:
OQCVIJFYYMRDPP-UHFFFAOYSA-N
SMILES:
S=C=NC1CCOc2c1cccc2
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.04g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.248g/mol
Monoisotopic Mass:
191.04g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties