Home Other Building Blocks N,N-dimethyl-1-[(5-oxo-5,6,7,8-tetrahydronaphthalen-2-yl)sulfanyl]formamide

N,N-dimethyl-1-[(5-oxo-5,6,7,8-tetrahydronaphthalen-2-yl)sulfanyl]formamide

CAS No.:
90401-89-1
Catalog Number:
AG01A98O
Molecular Formula:
C13H15NO2S
Molecular Weight:
249.3287
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01A98O
Chemical Name:
N,N-dimethyl-1-[(5-oxo-5,6,7,8-tetrahydronaphthalen-2-yl)sulfanyl]formamide
CAS Number:
90401-89-1
Molecular Formula:
C13H15NO2S
Molecular Weight:
249.3287
MDL Number:
MFCD16547678
IUPAC Name:
S-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)] N,N-dimethylcarbamothioate
InChI:
InChI=1S/C13H15NO2S/c1-14(2)13(16)17-10-6-7-11-9(8-10)4-3-5-12(11)15/h6-8H,3-5H2,1-2H3
InChI Key:
AMZNKLYLFKFXDT-UHFFFAOYSA-N
SMILES:
O=C(N(C)C)Sc1ccc2c(c1)CCCC2=O
Properties
Complexity:
317  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.082g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.328g/mol
Monoisotopic Mass:
249.082g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties