4-(4-Pyridyl)thiazole-2(3H)-thione - CAS 77168-63-9
Catalog: |
BB035847 |
Product Name: |
4-(4-Pyridyl)thiazole-2(3H)-thione |
CAS: |
77168-63-9 |
Synonyms: |
4-pyridin-4-yl-3H-thiazole-2-thione; 4-pyridin-4-yl-3H-1,3-thiazole-2-thione |
IUPAC Name: | 4-pyridin-4-yl-3H-1,3-thiazole-2-thione |
Description: | 4-(4-Pyridyl)thiazole-2(3H)-thione (CAS# 77168-63-9) is a reactant used to synthesize novel thiazolidine derivatives and azetidinone derivatives, which possess antiproliferative activity and inhibitory activity against the proliferation of the MCF-7 breast cancer cell line. |
Molecular Weight: | 194.28 |
Molecular Formula: | C8H6N2S2 |
Canonical SMILES: | C1=CN=CC=C1C2=CSC(=S)N2 |
InChI: | InChI=1S/C8H6N2S2/c11-8-10-7(5-12-8)6-1-3-9-4-2-6/h1-5H,(H,10,11) |
InChI Key: | LEQNUYXXLYRUNY-UHFFFAOYSA-N |
Boiling Point: | 356.135 °C at 760 mmHg |
Density: | 1.356 g/cm3 |
LogP: | 2.49380 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P272, P273, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
KR-102205496-B1 | Manufacturing method of intermediate for preparation of cephalosporin derivative and ceftaroline fosamil metal salt manufactured thereby | 20190227 |
KR-20200104657-A | Manufacturing method of intermediate for preparation of cephalosporin derivative and ceftaroline fosamil metal salt manufactured thereby | 20190227 |
US-2020216449-A1 | 4-Sulfur Substituted Podophyllotoxin Derivative and Preparation Method Therefor and Use Thereof | 20170922 |
US-2020216462-A1 | 4-Sulfur Substituted Podophyllotoxin Derivative and Preparation Method Therefor and Use Thereof | 20170922 |
WO-2019056800-A1 | SULFUR-4 SUBSTITUTED PODOPHYLLOTOXIN DERIVATIVE, PREPARATION METHOD THEREOF, AND USE THEREOF | 20170922 |
Complexity: | 219 |
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: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.99724055 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 82.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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Related Functional Groups
Oxazole/Thiazole
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