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114807-01-1 | Thiirane, 2-methyl-2-(2-phenylethyl)-
CAS No: 114807-01-1 Catalog No: AG000F9X MDL No:
Product Description
Catalog Number:
AG000F9X
Chemical Name:
Thiirane, 2-methyl-2-(2-phenylethyl)-
CAS Number:
114807-01-1
Molecular Formula:
C11H14S
Molecular Weight:
178.2939
IUPAC Name:
2-methyl-2-(2-phenylethyl)thiirane
InChI:
InChI=1S/C11H14S/c1-11(9-12-11)8-7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChI Key:
UTVSELRTTWVTSR-UHFFFAOYSA-N
SMILES:
CC1(CCc2ccccc2)SC1
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.082g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.293g/mol
Monoisotopic Mass:
178.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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