| CAS Number | 62519-33-9 |
| Catalog Number | AG00IB1F(AGN-PC-0JDMVS) |
| Chemical Name | Methyl 2-[(3-chloropropyl)sulfanyl]acetate |
| IUPAC Name | methyl 2-(3-chloropropylsulfanyl)acetate |
| InChI | InChI=1S/C6H11ClO2S/c1-9-6(8)5-10-4-2-3-7/h2-5H2,1H3 |
| InChI Key | ODDBQVMKNNAGNL-UHFFFAOYSA-N |
| MDL Number | MFCD20634401 |
| Molecular Formula | C6H11ClO2S |
| Molecular Weight | 182.6683 |
| SMILES | COC(=O)CSCCCCl |
| Synonyms | 62519-33-9,
METHYL 2-[(3-CHLOROPROPYL)SULFANYL]ACETATE,
Acetic acid, [(3-chloropropyl)thio]-, methyl ester,
CTK2B8209,
DTXSID60807835,
KS-00001BJ0,
MFCD20634401,
ZINC96191868,
methyl [(3-chloropropyl)thio]acetate,
AKOS032955779,
FCH1213653,
MCULE-4673663390,
Methyl 2-((3-chloropropyl)thio)acetate,
Methyl [(3-chloropropyl)sulfanyl]acetate,
TZ000874,
CS-0037336,
methyl 2-(3-chloropropylsulfanyl)acetate,
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| Complexity | 97.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.662g/mol |
| Monoisotopic Mass | 182.017g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 51.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number