Cas no 54243-55-9 (2(3H)-Thiazolethione, 5-mercapto-)
54243-55-9 structure
Product Name:2(3H)-Thiazolethione, 5-mercapto-
CAS No:54243-55-9
MF:C3H3NS3
MW:149.257616281509
CID:355087
PubChem ID:22497862
Update Time:2025-04-19
2(3H)-Thiazolethione, 5-mercapto- Chemical and Physical Properties
Names and Identifiers
-
- 2(3H)-Thiazolethione, 5-mercapto-
- 5-sulfanyl-3H-1,3-thiazole-2-thione
- 5-Sulfanyl-1,3-thiazole-2(3H)-thione
- SCHEMBL1674915
- 54243-55-9
- DTXSID50626234
-
- Inchi： 1S/C3H3NS3/c5-2-1-4-3(6)7-2/h1,5H,(H,4,6)
- InChI Key： OBDSPDZCPRBIIA-UHFFFAOYSA-N
- SMILES： S1C(NC=C1S)=S
Computed Properties
- Exact Mass: 148.94289
- Monoisotopic Mass: 148.94276262g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 7
- Rotatable Bond Count: 0
- 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: 1.2
- Topological Polar Surface Area: 70.4?2
Experimental Properties
- PSA: 12.03
2(3H)-Thiazolethione, 5-mercapto- Related Literature
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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