HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 88607Generated: October 26, 2026
(Butylthio)acetic acid
NSC75120 · Einecs 243-907-9 · (butylthio)acetic acid · Acetic acid, 2-(butylthio)- · 2-(butylsulfanyl)acetic acid
https://huagongshe.com/en/chemical/88607
Identifiers & Physical Properties
| CAS No. | 20600-61-7 |
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| Molecular formula | C6H12O2S |
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| Average molar mass | 148.23 g/mol |
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| Monoisotopic mass | 148.05580079 g/mol |
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| SMILES | CCCCSCC(=O)O |
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| InChIKey | ILLCGAJCYFLVSV-UHFFFAOYSA-N |
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| PubChem CID | 88607 |
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| EC No. | 243-907-9 |
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| DTXSID | DTXSID00174614 |
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Chemical & Physical Properties
| XLogP | 1.7 |
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| Topological polar surface area | 62.6 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 3 |
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| Rotatable bonds | 5 |
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| Heavy atoms | 9 |
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| Formal charge | 0 |
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| Complexity | 83 |
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| Boiling point | 282.2 °C(Press: 764 Torr) |
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| Density | 1.0771 g/cm3(Temp: 00 °C) |
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| pKa (acidity coefficient) | 3.88±0.10(Predicted) |
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| GHS pictogram | GHS07 |
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| Signal word | Warning |
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| GHS hazard statements | H302-H315-H319-H335 |
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| GHS precautionary statements | P261-P305+P351+P338 |
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Safety & Regulations
| Signal word | Warning |
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| GHS pictogram | GHS07 |
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| GHS hazard statements | H302-H315-H319-H335 |
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| GHS precautionary statements | P261-P305+P351+P338 |
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