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16229-24-6

16229-24-6 | Thieno[3,2-d]pyrimidine-4(3H)-thione

CAS No: 16229-24-6 Catalog No: AG001SYS MDL No:MFCD08444219

Product Description

Catalog Number:
AG001SYS
Chemical Name:
Thieno[3,2-d]pyrimidine-4(3H)-thione
CAS Number:
16229-24-6
Molecular Formula:
C6H4N2S2
Molecular Weight:
168.2394
MDL Number:
MFCD08444219
IUPAC Name:
1H-thieno[3,2-d]pyrimidine-4-thione
InChI:
InChI=1S/C6H4N2S2/c9-6-5-4(1-2-10-5)7-3-8-6/h1-3H,(H,7,8,9)
InChI Key:
OANSZKHFTKDZSA-UHFFFAOYSA-N
SMILES:
S=c1[nH]cnc2c1scc2

Properties

Complexity:
190  
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:
2  
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:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

Literature

Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101

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