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16504-29-3 | 2H-1,3-Thiazine-2-thione, tetrahydro-6-hydroxy-4,4,6-trimethyl-
CAS No: 16504-29-3 Catalog No: AG001V7S MDL No:
Product Description
Catalog Number:
AG001V7S
Chemical Name:
2H-1,3-Thiazine-2-thione, tetrahydro-6-hydroxy-4,4,6-trimethyl-
CAS Number:
16504-29-3
Molecular Formula:
C7H13NOS2
Molecular Weight:
191.3142
IUPAC Name:
6-hydroxy-4,4,6-trimethyl-1,3-thiazinane-2-thione
InChI:
InChI=1S/C7H13NOS2/c1-6(2)4-7(3,9)11-5(10)8-6/h9H,4H2,1-3H3,(H,8,10)
InChI Key:
HKMJDKGKVZNCLN-UHFFFAOYSA-N
SMILES:
S=C1NC(C)(C)CC(S1)(C)O
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.044g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
191.307g/mol
Monoisotopic Mass:
191.044g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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