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13728-27-3 | 1H-1,2,4-Triazolo[4,3-b][1,2,4]triazole, 3-(methylthio)-
CAS No: 13728-27-3 Catalog No: AG001326 MDL No:
Product Description
Catalog Number:
AG001326
Chemical Name:
1H-1,2,4-Triazolo[4,3-b][1,2,4]triazole, 3-(methylthio)-
CAS Number:
13728-27-3
Molecular Formula:
C4H5N5S
Molecular Weight:
155.1810
IUPAC Name:
3-methylsulfanyl-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazole
InChI:
InChI=1S/C4H5N5S/c1-10-4-8-7-3-5-2-6-9(3)4/h2H,1H3,(H,5,6,7)
InChI Key:
CSPQAFCNTBGPAI-UHFFFAOYSA-N
SMILES:
CSc1n[nH]c2n1ncn2
UNII:
EV5X0Y13AN
NSC Number:
370399
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.027g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
155.179g/mol
Monoisotopic Mass:
155.027g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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