Products for Research Use Only

ClpB-IN-1

CAT: 0607-BA1276-50Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0607-BA1276-50Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1453172-23-0
Form
A solid
Molecular Formula
C14H10N2O2S2
Molecular Weight
302.37
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

ClpB-IN-1
CAS Number1453172-23-0
PubChem CID1370080
IUPAC Name3-(4-hydroxy-3-prop-2-enyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one
Molecular FormulaC14H10N2O2S2
Molecular Weight302.4
XLogP2.2
Topological Polar Surface Area110
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity696
SMILES
C=CCN1C(=C(SC1=S)C2=C3C=CC=CC3=NC2=O)O
InChI
InChI=1S/C14H10N2O2S2/c1-2-7-16-13(18)11(20-14(16)19)10-8-5-3-4-6-9(8)15-12(10)17/h2-6,18H,1,7H2
InChIKey
GXJJIBDJRDXPGU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of ClpB-IN-1
CAS: 1453172-23-0
CID: 1370080
Formula: C14H10N2O2S2
MW: 302.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight302.4
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass302.01836991
Monoisotopic Mass302.01836991
Topological Polar Surface Area110 Ų
Heavy Atom Count20
Formal Charge0
Complexity696
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Popular Products