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188964-49-0 | Ethenethiol, 2-isocyano-, (Z)- (9CI)
CAS No: 188964-49-0 Catalog No: AG002HLR MDL No:
Product Description
Catalog Number:
AG002HLR
Chemical Name:
Ethenethiol, 2-isocyano-, (Z)- (9CI)
CAS Number:
188964-49-0
Molecular Formula:
C3H3NS
Molecular Weight:
85.1276
IUPAC Name:
2-isocyanoethenethiol
InChI:
InChI=1S/C3H3NS/c1-4-2-3-5/h2-3,5H
InChI Key:
VOHQWZIQSLKUDK-UHFFFAOYSA-N
SMILES:
[C-]#[N+]/C=C\S
Properties
Complexity:
76.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
84.999g/mol
Formal Charge:
0
Heavy Atom Count:
5
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
85.124g/mol
Monoisotopic Mass:
84.999g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
5.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.4
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