CID 29935828
PubChem CID
29935828
Structure
Molecular Formula
Status
Non-live
Molecular Weight
202.32 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
2-methyl-5-[(1S)-1-phenylethyl]thiophene
InChI=1S/C13H14S/c1-10-8-9-13(14-10)11(2)12-6-4-3-5-7-12/h3-9,11H,1-2H3/t11-/m0/s1
COKXHQZECAFVPL-NSHDSACASA-N
CC1=CC=C(S1)[C@@H](C)C2=CC=CC=C2
C13H14S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
202.32 g/mol
Property Name
XLogP3-AA
Property Value
4.3
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
202.08162162 g/mol
Property Name
Monoisotopic Mass
Property Value
202.08162162 g/mol
Property Name
Topological Polar Surface Area
Property Value
28.2 A^2
Property Name
Heavy Atom Count
Property Value
14
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
172
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
Old substance
Old substance
CONTENTS