Cas no 61291-23-4 (2-Thiazolecarbothioic acid, 5-methyl-)
61291-23-4 structure
Product Name:2-Thiazolecarbothioic acid, 5-methyl-
CAS No:61291-23-4
MF:C5H5NOS2
MW:159.229298353195
CID:485639
PubChem ID:21505464
Update Time:2025-04-19
2-Thiazolecarbothioic acid, 5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiazolecarbothioic acid, 5-methyl-
- 5-methyl-1,3-thiazole-2-carbothioic S-acid
- 5-methylthiazole-2-thiocarboxylic acid
- DTXSID80615196
- SCHEMBL11842958
- URFKSKUPCJARNG-UHFFFAOYSA-N
- 61291-23-4
-
- Inchi： 1S/C5H5NOS2/c1-3-2-6-4(9-3)5(7)8/h2H,1H3,(H,7,8)
- InChI Key： URFKSKUPCJARNG-UHFFFAOYSA-N
- SMILES： S1C(C(=O)S)=NC=C1C
Computed Properties
- Exact Mass: 158.98135
- Monoisotopic Mass: 158.98125613g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 128
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.7
- Topological Polar Surface Area: 59.2?2
Experimental Properties
- PSA: 33.12
2-Thiazolecarbothioic acid, 5-methyl- Related Literature
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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