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958879-95-3 | 1H-THIAZOLO[4,5-E][1,3,4]THIADIAZINE
CAS No: 958879-95-3 Catalog No: AG00H6KE MDL No:
Product Description
Catalog Number:
AG00H6KE
Chemical Name:
1H-THIAZOLO[4,5-E][1,3,4]THIADIAZINE
CAS Number:
958879-95-3
Molecular Formula:
C4H3N3S2
Molecular Weight:
157.2167
IUPAC Name:
1H-[1,3]thiazolo[4,5-e][1,3,4]thiadiazine
InChI:
InChI=1S/C4H3N3S2/c1-5-3-4(8-1)9-2-6-7-3/h1-2,7H
InChI Key:
GKCTTWSEKIAINX-UHFFFAOYSA-N
SMILES:
C1=NNc2c(S1)scn2
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.977g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
157.209g/mol
Monoisotopic Mass:
156.977g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
90.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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