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66393-25-7 | 1,2,3,4,5-Pentathiepino[6,7-c]isothiazole-8-carbonitrile
CAS No: 66393-25-7 Catalog No: AG006MA3 MDL No:
Product Description
Catalog Number:
AG006MA3
Chemical Name:
1,2,3,4,5-Pentathiepino[6,7-c]isothiazole-8-carbonitrile
CAS Number:
66393-25-7
Molecular Formula:
C4N2S6
Molecular Weight:
268.4462
IUPAC Name:
pentathiepino[6,7-c][1,2]thiazole-8-carbonitrile
InChI:
InChI=1S/C4N2S6/c5-1-2-3-4(6-7-2)9-11-12-10-8-3
InChI Key:
HPQDBUZWHYZCRC-UHFFFAOYSA-N
SMILES:
N#Cc1snc2c1SSSSS2
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.839g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.418g/mol
Monoisotopic Mass:
267.839g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
191A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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