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Home > Imidazoles > 52378-40-2
52378-40-2 | (E)-methyl N'-cyano-N-(2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)carbamimidothioate
CAS No: 52378-40-2 Catalog No: AG01DID2 MDL No:MFCD27966891
Product Description
Catalog Number:
AG01DID2
Chemical Name:
(E)-methyl N'-cyano-N-(2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)carbamimidothioate
CAS Number:
52378-40-2
Molecular Formula:
C10H15N5S2
Molecular Weight:
269.3896
MDL Number:
MFCD27966891
IUPAC Name:
methyl N-cyano-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]carbamimidothioate
InChI:
InChI=1S/C10H15N5S2/c1-8-9(15-7-14-8)5-17-4-3-12-10(16-2)13-6-11/h7H,3-5H2,1-2H3,(H,12,13)(H,14,15)
InChI Key:
WSUNDBVVUCLXTG-UHFFFAOYSA-N
SMILES:
N#C/N=C(\NCCSCc1nc[nH]c1C)/SC
EC Number:
257-889-5
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.077g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
269.385g/mol
Monoisotopic Mass:
269.077g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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