| CAS Number | 73771-35-4 |
| Catalog Number | AG005XL9(AGN-PC-0NK0YS) |
| Chemical Name | Benzaldehyde, 3-(methylthio)- |
| IUPAC Name | 3-methylsulfanylbenzaldehyde |
| InChI | InChI=1S/C8H8OS/c1-10-8-4-2-3-7(5-8)6-9/h2-6H,1H3 |
| InChI Key | XJNCVVVHUWTVCB-UHFFFAOYSA-N |
| MDL Number | MFCD09864229 |
| Molecular Formula | C8H8OS |
| Molecular Weight | 152.2135 |
| SMILES | O=CC1=CC=CC(SC)=C1 |
| Synonyms | 3-(Methylthio)benzaldehyde,
73771-35-4,
3-(methylsulfanyl)benzaldehyde,
Benzaldehyde, 3-(methylthio)-,
3-methylsulfanylbenzaldehyde,
3-methylsulfanyl-benzaldehyde,
SCHEMBL711416,
CTK2H0937,
DTXSID00508051,
XJNCVVVHUWTVCB-UHFFFAOYSA-N,
5233AH,
MFCD09864229,
ZINC19088190,
AKOS006281446,
AJ-70923,
SC-50277,
Y-5658,
3- BENZALDEHYDE,
C8H8OS,
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| Complexity | 114 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 152.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 152.211g/mol |
| Monoisotopic Mass | 152.03g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H312-H315-H319-H332-H335
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Packing Group
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Precautionary statements
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P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
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UN Code
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Certificate of Analysis
Lot Number