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26377-76-4 | Carbamimidothioic acid, 1H-indol-3-yl ester, hydriodide (1:1)
CAS No: 26377-76-4 Catalog No: AG002SY4 MDL No:MFCD00012688
Product Description
Catalog Number:
AG002SY4
Chemical Name:
Carbamimidothioic acid, 1H-indol-3-yl ester, hydriodide (1:1)
CAS Number:
26377-76-4
Molecular Formula:
C9H10IN3S
Molecular Weight:
319.1653
MDL Number:
MFCD00012688
IUPAC Name:
1H-indol-3-yl carbamimidothioate;hydroiodide
InChI:
InChI=1S/C9H9N3S.HI/c10-9(11)13-8-5-12-7-4-2-1-3-6(7)8;/h1-5,12H,(H3,10,11);1H
InChI Key:
LQKOQCZXEQTTIW-UHFFFAOYSA-N
SMILES:
NC(=[NH2+])Sc1c[nH]c2c1cccc2.[I-]
EC Number:
247-638-8
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.964g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
319.164g/mol
Monoisotopic Mass:
318.964g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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