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99158-61-9 | Thiazolo[4,5-b]pyridine-2(3H)-thione
CAS No: 99158-61-9 Catalog No: AG00IK8C MDL No:MFCD00210175
Product Description
Catalog Number:
AG00IK8C
Chemical Name:
Thiazolo[4,5-b]pyridine-2(3H)-thione
CAS Number:
99158-61-9
Molecular Formula:
C6H4N2S2
Molecular Weight:
168.2394
MDL Number:
MFCD00210175
IUPAC Name:
3H-[1,3]thiazolo[4,5-b]pyridine-2-thione
InChI:
InChI=1S/C6H4N2S2/c9-6-8-5-4(10-6)2-1-3-7-5/h1-3H,(H,7,8,9)
InChI Key:
RQVPXSDOJUXHLF-UHFFFAOYSA-N
SMILES:
Sc1nc2c(s1)cccn2
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.982g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.232g/mol
Monoisotopic Mass:
167.982g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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