CAS
98017-60-8 Purity
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98017-60-8 Purity
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Specification
The molecular formula is C4H5N5O2S.
The molecular weight is 187.18 g/mol.
The IUPAC name is 4,6-diamino-5-nitro-1H-pyrimidine-2-thione.
The InChI is InChI=1S/C4H5N5O2S/c5-2-1(9(10)11)3(6)8-4(12)7-2/h(H5,5,6,7,8,12).
The InChiKey is FIKISJBYQXVMSK-UHFFFAOYSA-N.
The Canonical SMILES is C1(=C(NC(=S)N=C1N)N)[N+](=O)[O-].
The CAS number is 98019-84-2.
The molecular weight is 187.18 g/mol.
It has 3 hydrogen bond donor counts.
It has 4 hydrogen bond acceptor counts.