2-Benzhydrylsulfanylacetic acid (CAS 63547-22-8) — formula C15H14O2S, molecular weight 258.3; category pharmaceutical intermediates and APIs.
2-Benzhydrylsulfanylacetic acid is a pharmaceutical intermediate or API compound with CAS registry number 63547-22-8 and molecular formula C15H14O2S (molecular weight 258.3), belonging to the pharmaceutical intermediates and APIs segment of chemical raw materials.
CAS number: 63547-22-8
Its molecular formula C15H14O2S comprises 15 C, 14 H, 2 O, 1 S atoms.
Also known as: 2-Benzhydrylsulfanylacetic acid · Diphenylmethyl Thioacetic Acid
Category: pharmaceutical intermediates and APIs
The CAS registry number of 2-Benzhydrylsulfanylacetic acid is 63547-22-8.
Molecular formula C15H14O2S, molecular weight 258.3.
It is also registered under: 2-Benzhydrylsulfanylacetic acid, Diphenylmethyl Thioacetic Acid.
Category: Pharmaceutical Intermediates.
Public-database records for 2-Benzhydrylsulfanylacetic acid (CAS 63547-22-8), reproduced here for independent cross-checking.
| Reported hazard statements | H302 (50%), H312 (50%), H315 (100%), H319 (100%), H332 (50%), H335 (50%) |
|---|
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]
| CAS Registry Number | 63547-22-8 |
|---|---|
| PubChem CID | 2077886 |
| 分子式 | C15H14O2S |
| IUPAC 名称 | 2-benzhydrylsulfanylacetic acid |
| UNII（FDA） | EGH8L3D5QF |
63547-22-8; 2-(benzhydrylthio)acetic acid; 2-[(Diphenylmethyl)thio]acetic acid; (benzhydrylthio)acetic acid; Benzhydrylsulfanyl acetic acid; 2-benzhydrylsulfanylacetic Acid; benzhydryl thioacetic acid; EGH8L3D5QF; 2-((Diphenylmethyl)thio)acetic acid; (benzhydrylsulfanyl)acetic acid; 2-[(diphenylmethyl)sulfanyl]acetic acid; Acetic acid, [(diphenylmethyl)thio]-; Acetic acid, 2-((diphenylmethyl)thio)-; DTXSID30366464; Acetic acid, ((diphenylmethyl)thio)-; 2-((Diphenylmethyl)sulfanyl)acetic acid
| 分子量 | 258.3 |
|---|---|
| XLogP3 | 3.7 |
| 氢键供体数 | 1 |
| 氢键受体数 | 3 |
| 可旋转键数 | 5 |
| 精确质量 | 258.07145086 |
| 单同位素质量 | 258.07145086 |
| 拓扑极性表面积 | 62.6 |
| 重原子数 | 18 |
| 形式电荷 | 0 |
2-Benzhydrylsulfanylacetic acid · CAS 63547-22-8 · C15H14O2S. UNII EGH8L3D5QF.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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