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78556-09-9 | 3-(4-METHOXYPHENYL)-1,3-THIAZINANE-2-THIONE
CAS No: 78556-09-9 Catalog No: AG008MHO MDL No:
Product Description
Catalog Number:
AG008MHO
Chemical Name:
3-(4-METHOXYPHENYL)-1,3-THIAZINANE-2-THIONE
CAS Number:
78556-09-9
Molecular Formula:
C11H13NOS2
Molecular Weight:
239.3570
IUPAC Name:
3-(4-methoxyphenyl)-1,3-thiazinane-2-thione
InChI:
InChI=1S/C11H13NOS2/c1-13-10-5-3-9(4-6-10)12-7-2-8-15-11(12)14/h3-6H,2,7-8H2,1H3
InChI Key:
VZRXFLGJMKLUPR-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)N1CCCSC1=S
UNII:
GM5FRP7VCG
NSC Number:
362636
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.044g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.351g/mol
Monoisotopic Mass:
239.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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