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76097-72-8 | 2H-Thiopyran, tetrahydro-2-methyl-4-phenyl-, trans-
CAS No: 76097-72-8 Catalog No: AG005G78 MDL No:
Product Description
Catalog Number:
AG005G78
Chemical Name:
2H-Thiopyran, tetrahydro-2-methyl-4-phenyl-, trans-
CAS Number:
76097-72-8
Molecular Formula:
C12H16S
Molecular Weight:
192.3204
IUPAC Name:
(2S,4R)-2-methyl-4-phenylthiane
InChI:
InChI=1S/C12H16S/c1-10-9-12(7-8-13-10)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t10-,12+/m0/s1
InChI Key:
BTNDCHWOHKVDLC-CMPLNLGQSA-N
SMILES:
C[C@@H]1SCC[C@H](C1)c1ccccc1
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
192.097g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.32g/mol
Monoisotopic Mass:
192.097g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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