| CAS Number | 862494-59-5 |
| Catalog Number | AG00IDZ4(AGN-PC-00OIP3) |
| Chemical Name | 5-phenyl-1,3-thiazole-2-carbaldehyde |
| IUPAC Name | 5-phenyl-1,3-thiazole-2-carbaldehyde |
| InChI | InChI=1S/C10H7NOS/c12-7-10-11-6-9(13-10)8-4-2-1-3-5-8/h1-7H |
| InChI Key | KOEXIFWBDMYROV-UHFFFAOYSA-N |
| MDL Number | MFCD11846732 |
| Molecular Formula | C10H7NOS |
| Molecular Weight | 189.2337 |
| SMILES | O=CC1=NC=C(C2=CC=CC=C2)S1 |
| Synonyms | 5-phenyl-1,3-thiazole-2-carbaldehyde,
862494-59-5,
5-PHENYLTHIAZOLE-2-CARBALDEHYDE,
SCHEMBL3505055,
5-phenyl-thiazole-2-carbaldehyde,
KOEXIFWBDMYROV-UHFFFAOYSA-N,
2-Thiazolecarboxaldehyde, 5-phenyl-,
MFCD11846732,
ZINC45206020,
AKOS005211595,
NE37256,
SB21804,
AS-34850,
SC-30840,
CS-0050410,
KS-00000826,
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| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.232g/mol |
| Monoisotopic Mass | 189.025g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Hazard statements
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H302-H315-H319-H335
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Precuationary statements
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P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
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Siginal words
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Certificate of Analysis
Lot Number