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Home > Indoles and Oxindole > 776253-96-4
776253-96-4 | Carbamimidothioic acid,1-methyl-1H-indol-3-yl ester
CAS No: 776253-96-4 Catalog No: AG005SM0 MDL No:MFCD09972554
Product Description
Catalog Number:
AG005SM0
Chemical Name:
Carbamimidothioic acid,1-methyl-1H-indol-3-yl ester
CAS Number:
776253-96-4
Molecular Formula:
C10H11N3S
Molecular Weight:
205.2794
MDL Number:
MFCD09972554
IUPAC Name:
(1-methylindol-3-yl) carbamimidothioate
InChI:
InChI=1S/C10H11N3S/c1-13-6-9(14-10(11)12)7-4-2-3-5-8(7)13/h2-6H,1H3,(H3,11,12)
InChI Key:
GNUHVXYYOSTZTD-UHFFFAOYSA-N
SMILES:
NC(=N)Sc1cn(c2c1cccc2)C
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.067g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
205.279g/mol
Monoisotopic Mass:
205.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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