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14947-51-4

14947-51-4 | 1,3-Dithiane, 2,2'-methylenebis-

CAS No: 14947-51-4 Catalog No: AG001LQG MDL No:MFCD00228262

Product Description

Catalog Number:
AG001LQG
Chemical Name:
1,3-Dithiane, 2,2'-methylenebis-
CAS Number:
14947-51-4
Molecular Formula:
C9H16S4
Molecular Weight:
252.4833
MDL Number:
MFCD00228262
IUPAC Name:
2-(1,3-dithian-2-ylmethyl)-1,3-dithiane
InChI:
InChI=1S/C9H16S4/c1-3-10-8(11-4-1)7-9-12-5-2-6-13-9/h8-9H,1-7H2
InChI Key:
DCJKPLNHQJEQOL-UHFFFAOYSA-N
SMILES:
C1CSC(SC1)CC1SCCCS1
NSC Number:
132850

Properties

Complexity:
123  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.013g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.467g/mol
Monoisotopic Mass:
252.013g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  

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