CAS
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Specification
The molecular formula is C6H5N3S2.
The molecular weight is 183.3 g/mol.
The IUPAC name is 4-amino-3H-thieno[2,3-d]pyrimidine-2-thione.
The InChI is InChI=1S/C6H5N3S2/c7-4-3-1-2-11-5(3)9-6(10)8-4/h1-2H,(H3,7,8,9,10).
The InChIKey is HEDDJCBSSBXDKX-UHFFFAOYSA-N.
The canonical SMILES is C1=CSC2=NC(=S)NC(=C21)N.
The XLogP3-AA value is 0.5.
It has 2 hydrogen bond donor counts.
It has 3 hydrogen bond acceptor counts.
It has 0 rotatable bond counts.