CID 28344477
PubChem CID
28344477
Structure
Molecular Formula
Status
Non-live
Molecular Weight
204.31 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
[4-(thiophen-2-ylmethyl)phenyl]methylazanium
InChI=1S/C12H13NS/c13-9-11-5-3-10(4-6-11)8-12-2-1-7-14-12/h1-7H,8-9,13H2/p+1
LBZIYIMWOLUCAL-UHFFFAOYSA-O
C1=CSC(=C1)CC2=CC=C(C=C2)C[NH3+]
C12H14NS+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
204.31 g/mol
Property Name
XLogP3-AA
Property Value
2.4
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
204.08469562 g/mol
Property Name
Monoisotopic Mass
Property Value
204.08469562 g/mol
Property Name
Topological Polar Surface Area
Property Value
55.9 A^2
Property Name
Heavy Atom Count
Property Value
14
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
164
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
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
CONTENTS