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Home > Aldehydes > 1249106-96-4
1249106-96-4 | 5-(1,4-THIAZEPAN-4-YL)FURAN-2-CARBALDEHYDE
CAS No: 1249106-96-4 Catalog No: AG01C8IT MDL No:MFCD16686041
Product Description
Catalog Number:
AG01C8IT
Chemical Name:
5-(1,4-THIAZEPAN-4-YL)FURAN-2-CARBALDEHYDE
CAS Number:
1249106-96-4
Molecular Formula:
C10H13NO2S
Molecular Weight:
211.2807
MDL Number:
MFCD16686041
IUPAC Name:
5-(1,4-thiazepan-4-yl)furan-2-carbaldehyde
InChI:
InChI=1S/C10H13NO2S/c12-8-9-2-3-10(13-9)11-4-1-6-14-7-5-11/h2-3,8H,1,4-7H2
InChI Key:
QGTVPHGUKYNOED-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(o1)N1CCSCCC1
Properties
Complexity:
201
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:
2
Topological Polar Surface Area:
58.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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