CID 47442468
PubChem CID
47442468
Structure
Molecular Formula
Status
Non-live
Molecular Weight
345.2 g/mol
Dates
- Create:2010-11-26
Chemical Structure Depiction
1-(2-bromoprop-2-enyl)-3-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)urea
InChI=1S/C10H9BrN4OS2/c1-6(11)4-12-9(16)13-10-15-14-8(18-10)7-2-3-17-5-7/h2-3,5H,1,4H2,(H2,12,13,15,16)
VLZALBLJSGZODD-UHFFFAOYSA-N
C=C(CNC(=O)NC1=NN=C(S1)C2=CSC=C2)Br
C10H9BrN4OS2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
345.2 g/mol
Property Name
XLogP3-AA
Property Value
2.2
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
343.94012 g/mol
Property Name
Monoisotopic Mass
Property Value
343.94012 g/mol
Property Name
Topological Polar Surface Area
Property Value
123A^2
Property Name
Heavy Atom Count
Property Value
18
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
331
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
CONTENTS