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Home > Pyridines > 1803597-33-2
1803597-33-2 | methyl N-[(pyridin-2-ylsulfanyl)methanimidoyl]carbamate
CAS No: 1803597-33-2 Catalog No: AG01A7K0 MDL No:MFCD28348347
Product Description
Catalog Number:
AG01A7K0
Chemical Name:
methyl N-[(pyridin-2-ylsulfanyl)methanimidoyl]carbamate
CAS Number:
1803597-33-2
Molecular Formula:
C8H9N3O2S
Molecular Weight:
211.2410
MDL Number:
MFCD28348347
IUPAC Name:
methyl (NE)-N-[amino(pyridin-2-ylsulfanyl)methylidene]carbamate
InChI:
InChI=1S/C8H9N3O2S/c1-13-8(12)11-7(9)14-6-4-2-3-5-10-6/h2-5H,1H3,(H2,9,11,12)
InChI Key:
JTJGXYYEVABNSV-UHFFFAOYSA-N
SMILES:
COC(=O)NC(=N)Sc1ccccn1
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
211.042g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.239g/mol
Monoisotopic Mass:
211.042g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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