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543-71-5

543-71-5 | 1,3-thiazinane

CAS No: 543-71-5 Catalog No: AG019YNS MDL No:MFCD01681719

Product Description

Catalog Number:
AG019YNS
Chemical Name:
1,3-thiazinane
CAS Number:
543-71-5
Molecular Formula:
C4H9NS
Molecular Weight:
103.1860
MDL Number:
MFCD01681719
IUPAC Name:
1,3-thiazinane
InChI:
InChI=1S/C4H9NS/c1-2-5-4-6-3-1/h5H,1-4H2
InChI Key:
HOQOADCYROWGQA-UHFFFAOYSA-N
SMILES:
C1CCSCN1

Properties

Complexity:
38.5  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
103.046g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
103.183g/mol
Monoisotopic Mass:
103.046g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

Literature

Title Journal
3-[1-(4-Chloro-phen-yl)eth-yl]-1,3-thia-zinane-2-thione. Acta crystallographica. Section E, Structure reports online 20110201
3-[1-(3,4-Dichloro-phen-yl)eth-yl]-1,3-thia-zinane-2-thione. Acta crystallographica. Section E, Structure reports online 20091201

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