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132102-28-4 | 2H-1-Benzothiopyran, 3,4-dihydro-2,2,4,4-tetramethyl-
CAS No: 132102-28-4 Catalog No: AG001082 MDL No:
Product Description
Catalog Number:
AG001082
Chemical Name:
2H-1-Benzothiopyran, 3,4-dihydro-2,2,4,4-tetramethyl-
CAS Number:
132102-28-4
Molecular Formula:
C13H18S
Molecular Weight:
206.3470
IUPAC Name:
2,2,4,4-tetramethyl-3H-thiochromene
InChI:
InChI=1S/C13H18S/c1-12(2)9-13(3,4)14-11-8-6-5-7-10(11)12/h5-8H,9H2,1-4H3
InChI Key:
DNUAGQGSSJASDE-UHFFFAOYSA-N
SMILES:
CC1(C)Sc2ccccc2C(C1)(C)C
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.113g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.347g/mol
Monoisotopic Mass:
206.113g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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