5-Methyl-2-thiouracil

• Published in: Acta crystallographica. Section C, Crystal structure communications Vol. 58; no. 9; pp. o568 - o569
• Main Authors: MATKOVIC-CALOGOVIC, Dubravka, BESIC, Erim, SANKOVIC, Kresimir
• Format: Journal Article
• Language: English
• Published: 5 Abbey Square, Chester, Cheshire CH1 2HU, England Munksgaard International Publishers 01.09.2002; Blackwell
• Subjects: Condensed matter: structure, mechanical and thermal properties; Exact sciences and technology; Heterocyclic compounds; Organic compounds; Physics; Structure of solids and liquids; crystallography; Structure of specific crystalline solids; Pyrimidine base; Thione; Ketones; Hydrogen bonds; Molecular structure; Nitrogen heterocycle; Six membered ring; XRD; Experimental study; Organic compounds; Crystal structure
• ISSN: 0108-2701; 1600-5759
• DOI: 10.1107/S010827010201315X

The molecular structure of the title compound, also known as 2‐thio­thymine [systematic name: 2,3‐di­hydro‐5‐methyl‐2‐thioxopyrimidin‐4(1H)‐one], C5H6N2OS, is similar to that of thymine, with only small changes in the ring structure, apart from a significant difference at the substitution site [S=C = 1.674 (1) Å]. The mol­ecules are connected by hydrogen bonds, with N—H⋯O = 2.755 (2) Å and N—H⋯S = 3.352 (1) Å. The hydrogen‐bond network is different from that in thymine, since it involves all the donor and acceptor atoms.