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18071-20-0 | Propanedinitrile, 2-[amino(methylthio)methylene]-
CAS No: 18071-20-0 Catalog No: AG002299 MDL No:MFCD04070729
Product Description
Catalog Number:
AG002299
Chemical Name:
Propanedinitrile, 2-[amino(methylthio)methylene]-
CAS Number:
18071-20-0
Molecular Formula:
C5H5N3S
Molecular Weight:
139.1783
MDL Number:
MFCD04070729
IUPAC Name:
2-[amino(methylsulfanyl)methylidene]propanedinitrile
InChI:
InChI=1S/C5H5N3S/c1-9-5(8)4(2-6)3-7/h8H2,1H3
InChI Key:
GSJVFTMCJWHRNL-UHFFFAOYSA-N
SMILES:
CSC(=C(C#N)C#N)N
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.02g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
139.176g/mol
Monoisotopic Mass:
139.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
98.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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