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1248261-44-0 | 5-[METHYL(THIOLAN-3-YL)AMINO]FURAN-2-CARBALDEHYDE
CAS No: 1248261-44-0 Catalog No: AG01C8IU MDL No:MFCD16686012
Product Description
Catalog Number:
AG01C8IU
Chemical Name:
5-[METHYL(THIOLAN-3-YL)AMINO]FURAN-2-CARBALDEHYDE
CAS Number:
1248261-44-0
Molecular Formula:
C10H13NO2S
Molecular Weight:
211.2807
MDL Number:
MFCD16686012
IUPAC Name:
5-[methyl(thiolan-3-yl)amino]furan-2-carbaldehyde
InChI:
InChI=1S/C10H13NO2S/c1-11(8-4-5-14-7-8)10-3-2-9(6-12)13-10/h2-3,6,8H,4-5,7H2,1H3
InChI Key:
IGBBHWPLDAQSDC-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(o1)N(C1CSCC1)C
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.067g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.279g/mol
Monoisotopic Mass:
211.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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