| CAS Number | 480436-46-2 |
| Catalog Number | AG01E6L9(AGN-PC-0CV3KS) |
| Chemical Name | 2-(((Butylthio)carbonothioyl)thio)propanoic acid |
| EC Number | 610-402-3 |
| IUPAC Name | 2-butylsulfanylcarbothioylsulfanylpropanoic acid |
| InChI | InChI=1S/C8H14O2S3/c1-3-4-5-12-8(11)13-6(2)7(9)10/h6H,3-5H2,1-2H3,(H,9,10) |
| InChI Key | VQUDUXBWOHBISV-UHFFFAOYSA-N |
| MDL Number | MFCD16036290 |
| Molecular Formula | C8H14O2S3 |
| Molecular Weight | 238.3906 |
| SMILES | CC(C(=O)O)SC(=S)SCCCC |
| Synonyms | 480436-46-2,
2-{[(Butylsulfanyl)carbonothioyl]sulfanyl}propanoic acid,
2-[[(butylthio)thioxomethyl]thio]Propanoic acid,
SCHEMBL180793,
CTK1C7020,
DTXSID50731599,
VQUDUXBWOHBISV-UHFFFAOYSA-N,
2-(Butylthiocarbonothioylthio)propanoic acid,
DB-070904,
FT-0714768,
Propanoic acid, 2-[[(butylthio)thioxomethyl]thio]-,
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| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.378g/mol |
| Monoisotopic Mass | 238.016g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 120A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number