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127358-83-2 | 2H-Thiazolo[5,4-e]-1,2,3-thiadiazine (9CI)
CAS No: 127358-83-2 Catalog No: AG000WYR MDL No:
Product Description
Catalog Number:
AG000WYR
Chemical Name:
2H-Thiazolo[5,4-e]-1,2,3-thiadiazine (9CI)
CAS Number:
127358-83-2
Molecular Formula:
C4H3N3S2
Molecular Weight:
157.2167
IUPAC Name:
2H-[1,3]thiazolo[5,4-e]thiadiazine
InChI:
InChI=1S/C4H3N3S2/c1-3-4(5-2-8-3)9-7-6-1/h1-2,7H
InChI Key:
QVUDEZSNVLEIMP-UHFFFAOYSA-N
SMILES:
N1N=Cc2c(S1)ncs2
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:
1.5
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