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27806-84-4 | Carbamimidothioic acid, N-phenyl-, methyl ester, hydriodide (1:1)
CAS No: 27806-84-4 Catalog No: AG002USG MDL No:MFCD08529511
Product Description
Catalog Number:
AG002USG
Chemical Name:
Carbamimidothioic acid, N-phenyl-, methyl ester, hydriodide (1:1)
CAS Number:
27806-84-4
Molecular Formula:
C8H10N2S
Molecular Weight:
166.2434
MDL Number:
MFCD08529511
IUPAC Name:
methyl N'-phenylcarbamimidothioate;hydroiodide
InChI:
InChI=1S/C8H10N2S.HI/c1-11-8(9)10-7-5-3-2-4-6-7;/h2-6H,1H3,(H2,9,10);1H
InChI Key:
IRFQKISACZBIOF-UHFFFAOYSA-N
SMILES:
CSC(=N)Nc1ccccc1
NSC Number:
202193
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.969g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
294.154g/mol
Monoisotopic Mass:
293.969g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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