Basic information
- CAS
491-33-8- Standard SMILES
Sc1cccc2cccnc12- InChIKey
MHTSJSRDFXZFHQ-UHFFFAOYSA-N- Molecular formula
- C9H7NS
- Average molar mass
- 161.23 g/mol
- Monoisotopic mass
- 161.0299204
Overview
structure given in first source
Names & identifiers
- Preferred name
- 8-Mercaptoquinoline
- IUPAC
- quinoline-8-thiol
- English name
- 8-Mercaptoquinoline Hydrochloride
- Molecular formula
- C9H7NS
- Molecular weight
- 161.22
Names & synonyms
8-Mercaptoquinolinequinoline-8-thiol491-33-88-QuinolinethiolSQT-8F77S9F93J4NSC-48888DTXSID70197678NSC-102548RefChem:914601DTXCID301201698-thioquinoline
Show more names
8TQThiooxinThiooxineAids110552Aids-1105528-Quinolylmercaptan8-Metcaptoquinoline
quinoline, 8-mercapto-8-Quinolinethiol;Quinoline-8-thiol;8-Thioquinoline8-MQ8-Mercaptoquinoline (8TQ)NCIOpen2_001790SCHEMBL536578UNII-F77S9F93J4SCHEMBL5463890
Database identifiers
- CAS
491-33-8- PubChem CID
- 96028
- DTXSID
DTXSID70197678- ChEMBL
CHEMBL4076575- UNII
- F77S9F93J4
- Nikkaji
- J6.054B
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 13.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- FDA UNII
- 77 S9F93J4 · F77S9F93J4
Chemistry & industry
Applications
UsesQuinoline-8-thiol is used as a reactant in the preparation of classical and nonclassical 6-arylthio-2,4-diamino-5-ethylpyrrolo[2,3-d]pyrimidines as antifolates and as antitumor agents.
Upstream & downstream products
Upstream raw materials
Suppliers15 total
苏州驰瑞智合生物科技有限公司0512-13626191578 13626191578 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
杭州六可生物科技有限公司+86-0571-86912261 +86-15658003402 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
常州探索化学有限公司15295164949 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
河南阿尔法化工有限公司0371-55055611 18137792234 · [email protected]
常州探索化学有限公司+8615295164949 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +8619957148339 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
4 records
Compound notes
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