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26419-69-2 | 1,3-Dithiolane-2-carboxaldehyde, 2-methyl-, O-[(methylamino)carbonyl]oxime (9CI)
CAS No: 26419-69-2 Catalog No: AG002T4S MDL No:
Product Description
Catalog Number:
AG002T4S
Chemical Name:
1,3-Dithiolane-2-carboxaldehyde, 2-methyl-, O-[(methylamino)carbonyl]oxime (9CI)
CAS Number:
26419-69-2
Molecular Formula:
C7H12N2O2S2
Molecular Weight:
220.3124
IUPAC Name:
[(2-methyl-1,3-dithiolan-2-yl)methylideneamino] N-methylcarbamate
InChI:
InChI=1S/C7H12N2O2S2/c1-7(12-3-4-13-7)5-9-11-6(10)8-2/h5H,3-4H2,1-2H3,(H,8,10)
InChI Key:
ZFUOBKRWDAHLGT-UHFFFAOYSA-N
SMILES:
CNC(=O)ON=CC1(C)SCCS1
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.034g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.305g/mol
Monoisotopic Mass:
220.034g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
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