(4-Tert-butylphenyl)methanethiol (CAS 49543-63-7) — formula C11H16S, molecular weight 180.31; category pharmaceutical intermediates and APIs.
(4-Tert-butylphenyl)methanethiol is a pharmaceutical intermediate or API compound with CAS registry number 49543-63-7 and molecular formula C11H16S (molecular weight 180.31), belonging to the pharmaceutical intermediates and APIs segment of chemical raw materials.
CAS number: 49543-63-7
Its molecular formula C11H16S comprises 11 C, 16 H, 1 S atoms.
Also known as: (4-Tert-butylphenyl)methanethiol · 4-tert-butylbenzyl mercaptan
Category: pharmaceutical intermediates and APIs
The CAS registry number of (4-Tert-butylphenyl)methanethiol is 49543-63-7.
Molecular formula C11H16S, molecular weight 180.31.
It is also registered under: (4-Tert-butylphenyl)methanethiol, 4-tert-butylbenzyl mercaptan.
Category: Pharmaceutical Intermediates.
Public-database records for (4-Tert-butylphenyl)methanethiol (CAS 49543-63-7), reproduced here for independent cross-checking.
| Reported hazard statements | H315 (100%), H319 (100%), H335 (97.6%) |
|---|
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
| CAS Registry Number | 49543-63-7 |
|---|---|
| PubChem CID | 2757252 |
| 分子式 | C11H16S |
| IUPAC 名称 | (4-tert-butylphenyl)methanethiol |
(4-tert-butylphenyl)methanethiol; RefChem:403125; 628-884-9; 49543-63-7; 4-tert-Butylbenzyl mercaptan; (4-(tert-Butyl)phenyl)methanethiol; Benzenemethanethiol, 4-(1,1-dimethylethyl)-; [4-(tert-butyl)phenyl]methanethiol; MFCD00068220; 4-(tert-Butyl)benzyl mercaptan; p-t-butylbenzyl mercaptan; 4-t-butylbenzyl mercaptan; 4-tertbutylbenzyl mercaptan; 4-tert-butybenzyl mercaptan; SCHEMBL439946; 4-tert.-butyl-benzyl mercaptan
| 分子量 | 180.31 |
|---|---|
| XLogP3 | 3.7 |
| 氢键供体数 | 1 |
| 氢键受体数 | 1 |
| 可旋转键数 | 2 |
| 精确质量 | 180.09727168 |
| 单同位素质量 | 180.09727168 |
| 拓扑极性表面积 | 1 |
| 重原子数 | 12 |
| 形式电荷 | 0 |
(4-Tert-butylphenyl)methanethiol · CAS 49543-63-7 · C11H16S.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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