3-METHYL-1-BUTANETHIOL (CAS 16630-56-1) — formula C5H12OS, molecular weight 120.22; category organic chemicals.
3-METHYL-1-BUTANETHIOL is a carbon-based organic compound with CAS registry number 16630-56-1 and molecular formula C5H12OS (molecular weight 120.22), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 16630-56-1
Its molecular formula C5H12OS comprises 5 C, 12 H, 1 O, 1 S atoms.
Also known as: 3-METHYL-1-BUTANETHIOL · 3-Methylthio Butanol
Category: organic chemicals
The CAS registry number of 3-METHYL-1-BUTANETHIOL is 16630-56-1.
Molecular formula C5H12OS, molecular weight 120.22.
It is also registered under: 3-METHYL-1-BUTANETHIOL, 3-Methylthio Butanol.
Category: Organic Chemicals.
Public-database records for 3-METHYL-1-BUTANETHIOL (CAS 16630-56-1), reproduced here for independent cross-checking.
| Reported hazard statements | H302 (100%), H315 (100%), H317 (100%), H319 (100%), H335 (100%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
| CAS Registry Number | 16630-56-1 |
|---|---|
| PubChem CID | 22934579 |
| 分子式 | C5H12OS |
| IUPAC 名称 | 3-methylsulfanylbutan-1-ol |
16630-56-1; 3-(Methylthio)-1-butanol; RefChem:275717; 3-(METHYLSULFANYL)BUTAN-1-OL; 3-methylsulfanylbutan-1-ol; 1-Butanol, 3-(methylthio)-; 3-methylthiobutanol; 3-Methylthio butanol; SCHEMBL1109731; SCHEMBL7000243; DTXSID101313245; AKOS014754846; DB-228727; CS-0242025; EN300-243446; Z1262258908
| 分子量 | 120.22 |
|---|---|
| XLogP3 | 1 |
| 氢键供体数 | 1 |
| 氢键受体数 | 2 |
| 可旋转键数 | 3 |
| 精确质量 | 120.06088618 |
| 单同位素质量 | 120.06088618 |
| 拓扑极性表面积 | 45.5 |
| 重原子数 | 7 |
| 形式电荷 | 0 |
3-METHYL-1-BUTANETHIOL · CAS 16630-56-1 · C5H12OS.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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