Home Other Building Blocks 1004-37-1
1004-37-1,MFCD00154298
Catalog No.:AA0001U7
1004-37-1 | 4H-Pyran-4-thione, 2,6-dimethyl-
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Purity
Availability
Price(USD)
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250mg
95.0%
3 weeks  
$768.00   $538.00
- +
500mg
95.0%
3 weeks  
$800.00   $560.00
- +
1g
95.0%
3 weeks  
$830.00   $581.00
- +
  • Technical Information
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Technical Information
Catalog Number:
AA0001U7
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
Computed 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  

Synonyms
 
2,6-Dimethylpyran-4-thione 
2,6-Dimethyl-4-thiopyrone 
NSC75204 
AC1L3WHZ 
NCIOpen2_000889 
5-17-09-00412 (Beilstein Handbook Reference) 
SCHEMBL7593835 
CTK3J8939 
4H-Pyran-4-thione,6-dimethyl- 
DTXSID80143247 
RZGQBLWMLLDDKL-UHFFFAOYSA-N 
ZINC117546 
2,6-Dimethyl-4H-pyran-4-thione 
WLN: T6O DYJ B1 DUS F1 
FCH839925 
NSC-75204 
2,6-Dimethyl-4H-pyran-4-thione # 
AKOS001673643 
MCULE-2978490882 
LS-127554 
ST50187458 
F1029-0068 
C7-H8-O-S 
1004-37-1 
CID96456 
4H-Pyran-4-thione, 2,6-dimethyl- 
NSC 75204 
BRN 0107420 
4H-Pyran-4-thione,2,6-dimethyl- 
2,6-DIMETHYLPYRAN-4(4H)-THIONE 
AO-801/33291061 
Literature
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