2H-1-Benzothiopyran, 6-ethynyl-3,4-dihydro-4,4-dimethyl-


Chemical Name: 2H-1-Benzothiopyran, 6-ethynyl-3,4-dihydro-4,4-dimethyl-
CAS Number: 118292-06-1
Product Number: AG0038YI(AGN-PC-0ND1XU)
Synonyms:
MDL No:
Molecular Formula: C13H14S
Molecular Weight: 202.3153

Identification/Properties


Computed Properties
Molecular Weight:
202.315g/mol
XLogP3:
3.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
202.082g/mol
Monoisotopic Mass:
202.082g/mol
Topological Polar Surface Area:
25.3A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
258
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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