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Home > Aldehydes > 1872923-94-8
1872923-94-8 | 2-(1,2,5-dithiazepan-5-yl)pyrimidine-5-carbaldehyde
CAS No: 1872923-94-8 Catalog No: AG01C8RY MDL No:MFCD31443223
Product Description
Catalog Number:
AG01C8RY
Chemical Name:
2-(1,2,5-dithiazepan-5-yl)pyrimidine-5-carbaldehyde
CAS Number:
1872923-94-8
Molecular Formula:
C9H11N3OS2
Molecular Weight:
241.3331
MDL Number:
MFCD31443223
IUPAC Name:
2-(1,2,5-dithiazepan-5-yl)pyrimidine-5-carbaldehyde
InChI:
InChI=1S/C9H11N3OS2/c13-7-8-5-10-9(11-6-8)12-1-3-14-15-4-2-12/h5-7H,1-4H2
InChI Key:
KGGNYGJMTNWMQT-UHFFFAOYSA-N
SMILES:
O=Cc1cnc(nc1)N1CCSSCC1
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.034g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.327g/mol
Monoisotopic Mass:
241.034g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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