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107916-92-7 | 4-Thiazolidinone, 5-(2-naphthalenylmethylene)-2-thioxo-
CAS No: 107916-92-7 Catalog No: AG00847V MDL No:MFCD04969039
Product Description
Catalog Number:
AG00847V
Chemical Name:
4-Thiazolidinone, 5-(2-naphthalenylmethylene)-2-thioxo-
CAS Number:
107916-92-7
Molecular Formula:
C14H9NOS2
Molecular Weight:
271.3574
MDL Number:
MFCD04969039
IUPAC Name:
(5E)-5-(naphthalen-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C14H9NOS2/c16-13-12(18-14(17)15-13)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-8H,(H,15,16,17)/b12-8+
InChI Key:
ATGWUPYXIYFRKP-XYOKQWHBSA-N
SMILES:
S=C1NC(=O)C(=Cc2ccc3c(c2)cccc3)S1
NSC Number:
80711
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
271.013g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.352g/mol
Monoisotopic Mass:
271.013g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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