6-Aza-2-thiothymine (C4H5N3OS)

6-Aza-2-thiothymine presents a C4 framework, aromatic rings (formula C4H5N3OS, CAS 615-76-9). ChemicalHelper Reaction can propose ranked disconnections for 6-Aza-2-thiothymine from the SMILES Cc1n[nH]c(=S)[nH]c1=O.

Target: 6-Aza-2-thiothymine
CAS: 615-76-9
Formula: C4H5N3OS
Approx. MW: 143.16
SMILES: Cc1n[nH]c(=S)[nH]c1=O
PubChem CID: 1263666
Approx. carbons: C4

6-Aza-2-thiothymine structure

Properties

IUPAC name: 6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one
Common names: 6-Aza-2-thiothymine; 615-76-9; 2-Thio-6-azathymine; 1,2,4-Triazin-5(2H)-one, 3,4-dihydro-6-methyl-3-thioxo-; RHH0RIO9KF; as-Triazin-5-ol, 3-mercapto-6-methyl-; as-Triazine-3,5(2H,4H)-dione, 6-methyl-3-thio-; 3,4-Dihydro-6-methyl-3-thioxo-1,2,4-triazin-5(2H)-one; NSC-1609; NSC-38618
Molecular weight: 143.17
Exact mass: 143.02
InChIKey: NKOPQOSBROLOFP-UHFFFAOYSA-N

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6-Aza-2-thiothymine 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 6-Aza-2-thiothymine?

6-Aza-2-thiothymine has molecular formula C4H5N3OS. Molecular weight about 143.16 g·mol⁻¹.

What is the CAS number of 6-Aza-2-thiothymine?

The CAS Registry Number for 6-Aza-2-thiothymine is 615-76-9.

Run AI retrosynthesis for 6-Aza-2-thiothymine Target catalog AI tools overview

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Related targets

Similar compounds

1-Methyl-1H-pyrazole 1-methylimidazole 2-Amino-5-bromopyrimidine 2-Chloropyrazine 2-Chloropyrimidine 2-Chlorothiophene

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References & tools

ChemicalHelper Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.