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Home > Aldehydes > 1880174-02-6
1880174-02-6 | 2-(1,2,5-dithiazepan-5-yl)pyridine-3-carbaldehyde
CAS No: 1880174-02-6 Catalog No: AG01C8RR MDL No:MFCD31443221
Product Description
Catalog Number:
AG01C8RR
Chemical Name:
2-(1,2,5-dithiazepan-5-yl)pyridine-3-carbaldehyde
CAS Number:
1880174-02-6
Molecular Formula:
C10H12N2OS2
Molecular Weight:
240.3451
MDL Number:
MFCD31443221
IUPAC Name:
2-(1,2,5-dithiazepan-5-yl)pyridine-3-carbaldehyde
InChI:
InChI=1S/C10H12N2OS2/c13-8-9-2-1-3-11-10(9)12-4-6-14-15-7-5-12/h1-3,8H,4-7H2
InChI Key:
RWTQNQVQBUKEDS-UHFFFAOYSA-N
SMILES:
O=Cc1cccnc1N1CCSSCC1
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.039g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.339g/mol
Monoisotopic Mass:
240.039g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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