4-(2-Thienyl)pyrimidine-2-thiol - CAS 175202-75-2
Catalog: |
BB047251 |
Product Name: |
4-(2-Thienyl)pyrimidine-2-thiol |
CAS: |
175202-75-2 |
Synonyms: |
4-(thiophen-2-yl)pyrimidine-2-thiol; 2(1H)-Pyrimidinethione, 4-(2-thienyl)-; 4-(2-thienyl)-2-pyrimidinethiol |
IUPAC Name: | 6-thiophen-2-yl-1H-pyrimidine-2-thione |
Description: | 4-(2-Thienyl)pyrimidine-2-thiol (CAS# 175202-75-2 ) is a useful research chemical. |
Molecular Weight: | 194.3 |
Molecular Formula: | C8H6N2S2 |
Canonical SMILES: | C1=CSC(=C1)C2=CC=NC(=S)N2 |
InChI: | InChI=1S/C8H6N2S2/c11-8-9-4-3-6(10-8)7-2-1-5-12-7/h1-5H,(H,9,10,11) |
InChI Key: | IPUPBWKUWAKTQL-UHFFFAOYSA-N |
Boiling Point: | 344.4 °C at 760 mmHg |
Melting Point: | 206 °C |
Purity: | 97 % |
Density: | 1.41 g/cm3 |
Complexity: | 258 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 193.99724055 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.99724055 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 84.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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