Home Halogens 1-[(6-chloropyridin-3-yl)sulfanyl]-N,N-dimethylformamide

1-[(6-chloropyridin-3-yl)sulfanyl]-N,N-dimethylformamide

CAS No.:
1820739-64-7
Catalog Number:
AG01AN2Q
Molecular Formula:
C8H9ClN2OS
Molecular Weight:
216.6879
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Product Description
Catalog Number:
AG01AN2Q
Chemical Name:
1-[(6-chloropyridin-3-yl)sulfanyl]-N,N-dimethylformamide
CAS Number:
1820739-64-7
Molecular Formula:
C8H9ClN2OS
Molecular Weight:
216.6879
MDL Number:
MFCD29034124
IUPAC Name:
S-(6-chloropyridin-3-yl) N,N-dimethylcarbamothioate
InChI:
InChI=1S/C8H9ClN2OS/c1-11(2)8(12)13-6-3-4-7(9)10-5-6/h3-5H,1-2H3
InChI Key:
OKPPYJHRTJGXCY-UHFFFAOYSA-N
SMILES:
O=C(N(C)C)Sc1ccc(nc1)Cl
Properties
Complexity:
189  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.012g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.683g/mol
Monoisotopic Mass:
216.012g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
58.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties