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Home > Nitro Compounds > 13116-83-1
13116-83-1 | 6-Nitro-3,4-dihydroquinazoline-4-thione
CAS No: 13116-83-1 Catalog No: AG01FCB6 MDL No:
Product Description
Catalog Number:
AG01FCB6
Chemical Name:
6-Nitro-3,4-dihydroquinazoline-4-thione
CAS Number:
13116-83-1
Molecular Formula:
C8H5N3O2S
Molecular Weight:
207.2092
IUPAC Name:
6-nitro-1H-quinazoline-4-thione
InChI:
InChI=1S/C8H5N3O2S/c12-11(13)5-1-2-7-6(3-5)8(14)10-4-9-7/h1-4H,(H,9,10,14)
InChI Key:
VRGOEFZHYLFLCI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)c(=S)[nH]cn2
NSC Number:
22482
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.01g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.207g/mol
Monoisotopic Mass:
207.01g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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