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13522-56-0 | N,N-dimethyl-1-(pyridin-3-yloxy)methanethioamide
CAS No: 13522-56-0 Catalog No: AG01ACCB MDL No:MFCD26407943
Product Description
Catalog Number:
AG01ACCB
Chemical Name:
N,N-dimethyl-1-(pyridin-3-yloxy)methanethioamide
CAS Number:
13522-56-0
Molecular Formula:
C8H10N2OS
Molecular Weight:
182.2428
MDL Number:
MFCD26407943
IUPAC Name:
O-pyridin-3-yl N,N-dimethylcarbamothioate
InChI:
InChI=1S/C8H10N2OS/c1-10(2)8(12)11-7-4-3-5-9-6-7/h3-6H,1-2H3
InChI Key:
KUQSTFCCXKNUBQ-UHFFFAOYSA-N
SMILES:
S=C(N(C)C)Oc1cccnc1
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.051g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.241g/mol
Monoisotopic Mass:
182.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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