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88716-71-6 | Propanedinitrile, [(2-benzothiazolylthio)methylene]-
CAS No: 88716-71-6 Catalog No: AG00897N MDL No:
Product Description
Catalog Number:
AG00897N
Chemical Name:
Propanedinitrile, [(2-benzothiazolylthio)methylene]-
CAS Number:
88716-71-6
Molecular Formula:
C11H5N3S2
Molecular Weight:
243.3075
IUPAC Name:
2-(1,3-benzothiazol-2-ylsulfanylmethylidene)propanedinitrile
InChI:
InChI=1S/C11H5N3S2/c12-5-8(6-13)7-15-11-14-9-3-1-2-4-10(9)16-11/h1-4,7H
InChI Key:
ZNWJPDGQHJRCIC-UHFFFAOYSA-N
SMILES:
N#CC(=CSc1nc2c(s1)cccc2)C#N
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.992g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.302g/mol
Monoisotopic Mass:
242.992g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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