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332110-23-3 | 3-(prop-2-yn-1-ylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole
CAS No: 332110-23-3 Catalog No: AG00IO42 MDL No:MFCD01576002
Product Description
Catalog Number:
AG00IO42
Chemical Name:
3-(prop-2-yn-1-ylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole
CAS Number:
332110-23-3
Molecular Formula:
C12H8N4S
Molecular Weight:
240.2837
MDL Number:
MFCD01576002
IUPAC Name:
3-prop-2-ynylsulfanyl-5H-[1,2,4]triazino[5,6-b]indole
InChI:
InChI=1S/C12H8N4S/c1-2-7-17-12-14-11-10(15-16-12)8-5-3-4-6-9(8)13-11/h1,3-6H,7H2,(H,13,14,16)
InChI Key:
DLPWCQRBWSQNFS-UHFFFAOYSA-N
SMILES:
C#CCSc1nnc2c(n1)[nH]c1c2cccc1
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.047g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.284g/mol
Monoisotopic Mass:
240.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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