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73768-85-1 | 1H-indol-3-yl imidothiocarbamate hydroiodide
CAS No: 73768-85-1 Catalog No: AG00JGP9 MDL No:MFCD01002881
Product Description
Catalog Number:
AG00JGP9
Chemical Name:
1H-indol-3-yl imidothiocarbamate hydroiodide
CAS Number:
73768-85-1
Molecular Formula:
C9H9N3S
Molecular Weight:
191.2529
MDL Number:
MFCD01002881
IUPAC Name:
1H-indol-3-yl carbamimidothioate
InChI:
InChI=1S/C9H9N3S/c10-9(11)13-8-5-12-7-4-2-1-3-6(7)8/h1-5,12H,(H3,10,11)
InChI Key:
PPSQBTGGGVXVPA-UHFFFAOYSA-N
SMILES:
NC(=N)Sc1c[nH]c2c1cccc2
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.052g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
191.252g/mol
Monoisotopic Mass:
191.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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