3-METHYLBENZYL ISOTHIOCYANATE (CAS 3696-66-0) — formula C9H9NS, molecular weight 163.24; category organic chemicals.
| CAS Number | 3696-66-0 |
|---|---|
| Molecular Formula | C9H9NS |
| Molecular Weight | 163.24 |
| LogP | 3.8 |
| Category | Organic Chemicals |
3-METHYLBENZYL ISOTHIOCYANATE is a carbon-based organic compound with CAS registry number 3696-66-0 and molecular formula C9H9NS (molecular weight 163.24), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 3696-66-0
Its molecular formula C9H9NS comprises 9 C, 9 H, 1 N, 1 S atoms.
Also known as: 3-METHYLBENZYL ISOTHIOCYANATE · 3-甲基异硫氰酸苄酯
Category: organic chemicals
The CAS registry number of 3-METHYLBENZYL ISOTHIOCYANATE is 3696-66-0.
Molecular formula C9H9NS, molecular weight 163.24.
It is also registered under: 3-METHYLBENZYL ISOTHIOCYANATE, 3-甲基异硫氰酸苄酯.
Category: Organic Chemicals.
Independent reference data for 3-METHYLBENZYL ISOTHIOCYANATE (CAS 3696-66-0), compiled from public chemistry databases.
| CAS 号 | 3696-66-0 |
|---|---|
| PubChem CID | 138010 |
| 分子式 | C9H9NS |
| IUPAC 名称 | 1-(isothiocyanatomethyl)-3-methylbenzene |
| Molecular Weight | 163.24 |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 163.04557046 |
| Monoisotopic Mass | 163.04557046 |
| Topological Polar Surface Area | 44.5 |
| Heavy Atom Count | 11 |
3-Methylbenzyl isothiocyanate; 3696-66-0; DTXSID20190457; RefChem:94838; DTXCID30112948; NUXFAFWRXGFTQJ-UHFFFAOYSA-N; 1-(Isothiocyanatomethyl)-3-methylbenzene; MFCD00060410; 1-(isothiocyanatomethyl)-3-methyl-benzene; 3-Methylbenzylisothiocyanate; Benzene, 1-(isothiocyanatomethyl)-3-methyl-; SCHEMBL2341886; SCHEMBL27412838; GEO-02500; AKOS010126920; FS-4737
3-甲基异硫氰酸苄酯 · CAS 3696-66-0 · C9H9NS.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-甲基异硫氰酸苄酯