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Home > Nitro Compounds > 343374-78-7
343374-78-7 | 1-(N-nitrocarbamimidoyl)-3-(prop-2-en-1-yl)thiourea
CAS No: 343374-78-7 Catalog No: AG00IRI8 MDL No:MFCD01443749
Product Description
Catalog Number:
AG00IRI8
Chemical Name:
1-(N-nitrocarbamimidoyl)-3-(prop-2-en-1-yl)thiourea
CAS Number:
343374-78-7
Molecular Formula:
C5H9N5O2S
Molecular Weight:
203.2223
MDL Number:
MFCD01443749
IUPAC Name:
(1E)-1-[amino(nitramido)methylidene]-3-prop-2-enylthiourea
InChI:
InChI=1S/C5H9N5O2S/c1-2-3-7-5(13)8-4(6)9-10(11)12/h2H,1,3H2,(H4,6,7,8,9,13)
InChI Key:
ZGGHNAXHGNWIKO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)NC(=N)NC(=S)NCC=C
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
203.048g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
203.22g/mol
Monoisotopic Mass:
203.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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