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178811-54-6 | Carbonocyanidothioic amide, di-2-propenyl- (9CI)
CAS No: 178811-54-6 Catalog No: AG0026EI MDL No:
Product Description
Catalog Number:
AG0026EI
Chemical Name:
Carbonocyanidothioic amide, di-2-propenyl- (9CI)
CAS Number:
178811-54-6
Molecular Formula:
C8H10N2S
Molecular Weight:
166.2434
IUPAC Name:
1-cyano-N,N-bis(prop-2-enyl)methanethioamide
InChI:
InChI=1S/C8H10N2S/c1-3-5-10(6-4-2)8(11)7-9/h3-4H,1-2,5-6H2
InChI Key:
MLYKDCUXEREXFX-UHFFFAOYSA-N
SMILES:
C=CCN(C(=S)C#N)CC=C
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.056g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.242g/mol
Monoisotopic Mass:
166.056g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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