| CAS Number | 154327-29-4 |
| Catalog Number | AG01AN49(AGN-PC-007OOA) |
| Chemical Name | 7-fluoro-2,3-dihydro-1,3-benzothiazole-2-thione |
| IUPAC Name | 7-fluoro-3H-1,3-benzothiazole-2-thione |
| InChI | InChI=1S/C7H4FNS2/c8-4-2-1-3-5-6(4)11-7(10)9-5/h1-3H,(H,9,10) |
| InChI Key | QLXVZOOASLJRJM-UHFFFAOYSA-N |
| MDL Number | MFCD08692055 |
| Molecular Formula | C7H4FNS2 |
| Molecular Weight | 185.2418 |
| SMILES | S=C1NC2C(=C(C=CC=2)F)S1 |
| Synonyms | 7-Fluorobenzo[d]thiazole-2(3H)-thione,
154327-29-4,
7-Fluorobenzo[d]thiazole-2-thiol,
7-fluoro-2-mercaptobenzothiazole,
7-fluoro-1,3-benzothiazole-2-thiol,
7-fluoro-2,3-dihydro-1,3-benzothiazole-2-thione,
7-Fluorobenzothiazole-2-thiol,
7-fluoro-benzothiazole-2-thiol,
SCHEMBL2748327,
QLXVZOOASLJRJM-UHFFFAOYSA-N,
ZINC11919360,
AKOS006291525,
7-Fluorobenzo[d]thiazole-2-thiol, AldrichCPR,
Z1255424549,
7-fluoro-3H-benzothiazole-2-thione,
CID11367427,
N/A,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.977g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.234g/mol |
| Monoisotopic Mass | 184.977g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 69.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
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