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87444-22-2 | Thiazolo[4,5-b]pyrazine-2(3H)-thione
CAS No: 87444-22-2 Catalog No: AG004KCD MDL No:
Product Description
Catalog Number:
AG004KCD
Chemical Name:
Thiazolo[4,5-b]pyrazine-2(3H)-thione
CAS Number:
87444-22-2
Molecular Formula:
C5H3N3S2
Molecular Weight:
169.2274
IUPAC Name:
3H-[1,3]thiazolo[4,5-b]pyrazine-2-thione
InChI:
InChI=1S/C5H3N3S2/c9-5-8-3-4(10-5)7-2-1-6-3/h1-2H,(H,6,8,9)
InChI Key:
XEAYWXALSDKPEZ-UHFFFAOYSA-N
SMILES:
S=c1sc2c([nH]1)nccn2
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.977g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
169.22g/mol
Monoisotopic Mass:
168.977g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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