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61602-97-9 | 4-METHYL-4H-[1,2,4]TRIAZINO[5,6-B]INDOLE-3-THIOL
CAS No: 61602-97-9 Catalog No: AG019O1R MDL No:MFCD06660827
Product Description
Catalog Number:
AG019O1R
Chemical Name:
4-METHYL-4H-[1,2,4]TRIAZINO[5,6-B]INDOLE-3-THIOL
CAS Number:
61602-97-9
Molecular Formula:
C10H8N4S
Molecular Weight:
216.2623
MDL Number:
MFCD06660827
IUPAC Name:
4-methyl-5H-[1,2,4]triazino[5,6-b]indole-3-thione
InChI:
InChI=1S/C10H8N4S/c1-14-9-8(12-13-10(14)15)6-4-2-3-5-7(6)11-9/h2-5,11H,1H3
InChI Key:
JHDMDHLBOKQPPX-UHFFFAOYSA-N
SMILES:
Cn1c(S)nnc2c1nc1c2cccc1
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.047g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.262g/mol
Monoisotopic Mass:
216.047g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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