| CAS Number | 383142-64-1 |
| Catalog Number | AG00CLUT(AGN-PC-0WRA5K) |
| Chemical Name | 4-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole |
| IUPAC Name | 4-methyl-2-pyrrol-1-yl-1,3-thiazole |
| InChI | InChI=1S/C8H8N2S/c1-7-6-11-8(9-7)10-4-2-3-5-10/h2-6H,1H3 |
| InChI Key | CGBMFOMSDCBXOB-UHFFFAOYSA-N |
| MDL Number | MFCD02665526 |
| Molecular Formula | C8H8N2S |
| Molecular Weight | 164.2275 |
| SMILES | Cc1csc(n1)n1cccc1 |
| Synonyms | 4-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole,
383142-64-1,
AC1NFWOU,
Thiazole, 4-methyl-2-(1H-pyrrol-1-yl)- (9CI),
SCHEMBL8798800,
ZINC1519965,
BBL020814,
MFCD02665526,
STK893504,
AKOS001476479,
MCULE-5689416271,
4-methyl-2-pyrrol-1-yl-1,3-thiazole,
V5627,
K-8380,
C8H8N2S,
ZINC01519965,
CID4715102,
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| Complexity | 134 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.226g/mol |
| Monoisotopic Mass | 164.041g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number