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Home > Aldehydes > 1878642-44-4
1878642-44-4 | 4-(1-oxo-1lambda4,4-thiazepan-4-yl)thiophene-2-carbaldehyde
CAS No: 1878642-44-4 Catalog No: AG01C8VK MDL No:
Product Description
Catalog Number:
AG01C8VK
Chemical Name:
4-(1-oxo-1lambda4,4-thiazepan-4-yl)thiophene-2-carbaldehyde
CAS Number:
1878642-44-4
Molecular Formula:
C10H13NO2S2
Molecular Weight:
243.3457
IUPAC Name:
4-(1-oxo-1,4-thiazepan-4-yl)thiophene-2-carbaldehyde
InChI:
InChI=1S/C10H13NO2S2/c12-7-10-6-9(8-14-10)11-2-1-4-15(13)5-3-11/h6-8H,1-5H2
InChI Key:
KFOFYUCDLIVYMG-UHFFFAOYSA-N
SMILES:
O=Cc1scc(c1)N1CCCS(=O)CC1
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.039g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.339g/mol
Monoisotopic Mass:
243.039g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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