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30125-98-5 | 5-[(1-benzothiophen-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CAS No: 30125-98-5 Catalog No: AG01AMBD MDL No:
Product Description
Catalog Number:
AG01AMBD
Chemical Name:
5-[(1-benzothiophen-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CAS Number:
30125-98-5
Molecular Formula:
C12H7NOS3
Molecular Weight:
277.3851
IUPAC Name:
(5Z)-5-(1-benzothiophen-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C12H7NOS3/c14-11-10(17-12(15)13-11)5-7-6-16-9-4-2-1-3-8(7)9/h1-6H,(H,13,14,15)/b10-5-
InChI Key:
RKHVXLKCPTUUBP-YHYXMXQVSA-N
SMILES:
S=C1NC(=O)C(=Cc2csc3c2cccc3)S1
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
276.969g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.374g/mol
Monoisotopic Mass:
276.969g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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