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312607-49-1 | (E);-5-(4-(tert-Butyl);benzylidene);-2-mercaptothiazol-4(5H);-one
CAS No: 312607-49-1 Catalog No: AG007I2B MDL No:MFCD04969048
Product Description
Catalog Number:
AG007I2B
Chemical Name:
(E);-5-(4-(tert-Butyl);benzylidene);-2-mercaptothiazol-4(5H);-one
CAS Number:
312607-49-1
Molecular Formula:
C14H15NOS2
Molecular Weight:
277.4050
MDL Number:
MFCD04969048
IUPAC Name:
(5E)-5-[(4-tert-butylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C14H15NOS2/c1-14(2,3)10-6-4-9(5-7-10)8-11-12(16)15-13(17)18-11/h4-8H,1-3H3,(H,15,16,17)/b11-8+
InChI Key:
VSDUUCKOLAQMBN-DHZHZOJOSA-N
SMILES:
CC(c1ccc(cc1)/C=C\1/SC(=NC1=O)S)(C)C
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
277.06g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.4g/mol
Monoisotopic Mass:
277.06g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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