90870-68-1 Purity
96%
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Specification
The molecular formula of Chembrdg-bb 4012402 is C10H12N4S.
The molecular weight of Chembrdg-bb 4012402 is 220.30 g/mol.
Chembrdg-bb 4012402 was created on 2009-05-28 and last modified on 2023-12-30.
The IUPAC name of Chembrdg-bb 4012402 is 4-propyl-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione.
The InChI of Chembrdg-bb 4012402 is InChI=1S/C10H12N4S/c1-2-6-14-9(12-13-10(14)15)8-4-3-5-11-7-8/h3-5,7H,2,6H2,1H3,(H,13,15).
The InChIKey of Chembrdg-bb 4012402 is CZLLKDKCZOQTIG-UHFFFAOYSA-N.
The Canonical SMILES representation of Chembrdg-bb 4012402 is CCCN1C(=NNC1=S)C2=CN=CC=C2.
The CAS identifier of Chembrdg-bb 4012402 is 90871-44-6.
Chembrdg-bb 4012402 has 1 hydrogen bond donor count.
Yes, the compound is canonicalized.