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3- (3-thienylmethylene) indolin-2-one

CAT: 0926-XMB26508Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0926-XMB26508Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
947265-08-9
MDL Number
MFCD02662248
Smiles
C1=CC=C2C (=C1) C (=CC3=CSC=C3) C (=O) N2
Molecular Formula
C13H9NOS
Molecular Weight
227.28 g/mol
Controlled
No

Chemical Information

(3Z)-3-(thiophen-3-ylmethylidene)-1H-indol-2-one
CAS Number947265-08-9
PubChem CID2356985
IUPAC Name(3Z)-3-(thiophen-3-ylmethylidene)-1H-indol-2-one
Molecular FormulaC13H9NOS
Molecular Weight227.28
XLogP2.6
Topological Polar Surface Area57.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity326
SMILES
C1=CC=C2C(=C1)/C(=C/C3=CSC=C3)/C(=O)N2
InChI
InChI=1S/C13H9NOS/c15-13-11(7-9-5-6-16-8-9)10-3-1-2-4-12(10)14-13/h1-8H,(H,14,15)/b11-7-
InChIKey
YBJXUOGWYIYONY-XFFZJAGNSA-N
Chemical Structure
2D Structure
2D structure of (3Z)-3-(thiophen-3-ylmethylidene)-1H-indol-2-one
CAS: 947265-08-9
CID: 2356985
Formula: C13H9NOS
MW: 227.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight227.28
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass227.04048508
Monoisotopic Mass227.04048508
Topological Polar Surface Area57.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity326
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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