CID 45009276
PubChem CID
45009276
Structure
Molecular Formula
Status
Non-live
Molecular Weight
275.4 g/mol
Dates
- Create:2010-03-26
Chemical Structure Depiction
3-benzyl-5-propan-2-ylsulfanyl-4-propyl-1,2,4-triazole
InChI=1S/C15H21N3S/c1-4-10-18-14(11-13-8-6-5-7-9-13)16-17-15(18)19-12(2)3/h5-9,12H,4,10-11H2,1-3H3
WOOLBSUUZJPPON-UHFFFAOYSA-N
CCCN1C(=NN=C1SC(C)C)CC2=CC=CC=C2
C15H21N3S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
275.4 g/mol
Property Name
XLogP3-AA
Property Value
3.9
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
275.14561886 g/mol
Property Name
Monoisotopic Mass
Property Value
275.14561886 g/mol
Property Name
Topological Polar Surface Area
Property Value
56 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
254
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
CONTENTS