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228566-79-8 | Acetonitrile, (2-thioxo-4-thiazolidinylidene)- (9CI)
CAS No: 228566-79-8 Catalog No: AG00BK9A MDL No:
Product Description
Catalog Number:
AG00BK9A
Chemical Name:
Acetonitrile, (2-thioxo-4-thiazolidinylidene)- (9CI)
CAS Number:
228566-79-8
IUPAC Name:
(2E)-2-(2-sulfanylidene-1,3-thiazolidin-4-ylidene)acetonitrile
InChI:
InChI=1S/C5H4N2S2/c6-2-1-4-3-9-5(8)7-4/h1H,3H2,(H,7,8)/b4-1+
InChI Key:
DPUAAZOPCAPQJH-DAFODLJHSA-N
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
155.982g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.221g/mol
Monoisotopic Mass:
155.982g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
93.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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