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14080-55-8 | Thieno[2,3-d]pyrimidine-4(3H);-thione
CAS No: 14080-55-8 Catalog No: AG001CSQ MDL No:MFCD04425868
Product Description
Catalog Number:
AG001CSQ
Chemical Name:
Thieno[2,3-d]pyrimidine-4(3H);-thione
CAS Number:
14080-55-8
Molecular Formula:
C6H4N2S2
Molecular Weight:
168.2394
MDL Number:
MFCD04425868
IUPAC Name:
3H-thieno[2,3-d]pyrimidine-4-thione
InChI:
InChI=1S/C6H4N2S2/c9-5-4-1-2-10-6(4)8-3-7-5/h1-3H,(H,7,8,9)
InChI Key:
CJRCQIKVDNTHCO-UHFFFAOYSA-N
SMILES:
S=c1[nH]cnc2c1ccs2
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:
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:
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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