Home Other Building Blocks 4H-1-Benzothiopyran-4-one, 2,3-dihydro-, oxime

4H-1-Benzothiopyran-4-one, 2,3-dihydro-, oxime

CAS No.:
15857-68-8
Catalog Number:
AG001QBE
Molecular Formula:
C9H9NOS
Molecular Weight:
179.2389
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Product Description
Catalog Number:
AG001QBE
Chemical Name:
4H-1-Benzothiopyran-4-one, 2,3-dihydro-, oxime
CAS Number:
15857-68-8
Molecular Formula:
C9H9NOS
Molecular Weight:
179.2389
MDL Number:
MFCD00024086
IUPAC Name:
N-(2,3-dihydrothiochromen-4-ylidene)hydroxylamine
InChI:
InChI=1S/C9H9NOS/c11-10-8-5-6-12-9-4-2-1-3-7(8)9/h1-4,11H,5-6H2
InChI Key:
RARVWGVWROHFMP-UHFFFAOYSA-N
SMILES:
ON=C1CCSc2c1cccc2
EC Number:
239-979-6
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.04g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
179.237g/mol
Monoisotopic Mass:
179.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
2.2  
Properties