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26419-72-7 | 1,3-Dithiane-2-carboxaldehyde, 2-methyl-, O-[(methylamino)carbonyl]oxime (9CI)
CAS No: 26419-72-7 Catalog No: AG002T4R MDL No:MFCD01746187
Product Description
Catalog Number:
AG002T4R
Chemical Name:
1,3-Dithiane-2-carboxaldehyde, 2-methyl-, O-[(methylamino)carbonyl]oxime (9CI)
CAS Number:
26419-72-7
Molecular Formula:
C8H14N2O2S2
Molecular Weight:
234.3390
MDL Number:
MFCD01746187
IUPAC Name:
[(2-methyl-1,3-dithian-2-yl)methylideneamino] N-methylcarbamate
InChI:
InChI=1S/C8H14N2O2S2/c1-8(13-4-3-5-14-8)6-10-12-7(11)9-2/h6H,3-5H2,1-2H3,(H,9,11)
InChI Key:
YRROZKZBFAEWIZ-UHFFFAOYSA-N
SMILES:
CNC(=O)ON=CC1(C)SCCCS1
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.05g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.332g/mol
Monoisotopic Mass:
234.05g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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