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1004-37-1 | 4H-Pyran-4-thione, 2,6-dimethyl-
CAS No: 1004-37-1 Catalog No: AG0001WZ MDL No:MFCD00154298
Product Description
Catalog Number:
AG0001WZ
Chemical Name:
4H-Pyran-4-thione, 2,6-dimethyl-
CAS Number:
1004-37-1
Molecular Formula:
C7H8OS
Molecular Weight:
140.2028
MDL Number:
MFCD00154298
IUPAC Name:
2,6-dimethylpyran-4-thione
InChI:
InChI=1S/C7H8OS/c1-5-3-7(9)4-6(2)8-5/h3-4H,1-2H3
InChI Key:
RZGQBLWMLLDDKL-UHFFFAOYSA-N
SMILES:
Cc1oc(C)cc(=S)c1
NSC Number:
75204
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.03g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.2g/mol
Monoisotopic Mass:
140.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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