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Home > Indoles and Oxindole > 874782-55-5
874782-55-5 | 5-(1H-Indol-3-yl)-4-methyl-4H-1,2,4-triazole-3-thiol
CAS No: 874782-55-5 Catalog No: AG01BBNR MDL No:MFCD03618465
Product Description
Catalog Number:
AG01BBNR
Chemical Name:
5-(1H-Indol-3-yl)-4-methyl-4H-1,2,4-triazole-3-thiol
CAS Number:
874782-55-5
Molecular Formula:
C11H10N4S
Molecular Weight:
230.2889
MDL Number:
MFCD03618465
IUPAC Name:
3-(1H-indol-3-yl)-4-methyl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C11H10N4S/c1-15-10(13-14-11(15)16)8-6-12-9-5-3-2-4-7(8)9/h2-6,12H,1H3,(H,14,16)
InChI Key:
FYKQPEUHIODMES-UHFFFAOYSA-N
SMILES:
Cn1c(S)nnc1c1c[nH]c2c1cccc2
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.063g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.289g/mol
Monoisotopic Mass:
230.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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