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1856800-82-2 | 5-(1,2,5-dithiazepan-5-yl)furan-2-carbaldehyde
CAS No: 1856800-82-2 Catalog No: AG01C8IX MDL No:MFCD31443134
Product Description
Catalog Number:
AG01C8IX
Chemical Name:
5-(1,2,5-dithiazepan-5-yl)furan-2-carbaldehyde
CAS Number:
1856800-82-2
Molecular Formula:
C9H11NO2S2
Molecular Weight:
229.3191
MDL Number:
MFCD31443134
IUPAC Name:
5-(1,2,5-dithiazepan-5-yl)furan-2-carbaldehyde
InChI:
InChI=1S/C9H11NO2S2/c11-7-8-1-2-9(12-8)10-3-5-13-14-6-4-10/h1-2,7H,3-6H2
InChI Key:
JPQJLWHSRFQFLD-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(o1)N1CCSSCC1
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.023g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.312g/mol
Monoisotopic Mass:
229.023g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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