4-METHYLBENZYL ISOTHIOCYANATE (CAS 3694-46-0) — formula C9H9NS, molecular weight 163.24; category organic chemicals.
4-METHYLBENZYL ISOTHIOCYANATE (CAS 3694-46-0) is a chemical raw material in the organic chemicals category. Its molecular formula C9H9NS comprises 9 C, 9 H, 1 N, 1 S atoms. Its molecular weight is about 163.24. Reported physicochemical data: LogP about 3.5. As a sourcing and distribution partner we help locate and compare this item across domestic and cross-border channels, arranging samples and batch orders with full COA and compliance files.
| CAS Number | 3694-46-0 |
|---|---|
| Molecular Formula | C9H9NS |
| Molecular Weight | 163.24 |
| LogP | 3.5 |
| Category | Organic Chemicals |
4-METHYLBENZYL ISOTHIOCYANATE is a carbon-based organic compound with CAS registry number 3694-46-0 and molecular formula C9H9NS (molecular weight 163.24), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 3694-46-0
Its molecular formula C9H9NS comprises 9 C, 9 H, 1 N, 1 S atoms.
Also known as: 4-METHYLBENZYL ISOTHIOCYANATE · 4-甲基苄基硫代异氰酸酯, 96%
Category: organic chemicals
The CAS registry number of 4-METHYLBENZYL ISOTHIOCYANATE is 3694-46-0.
Molecular formula C9H9NS, molecular weight 163.24.
It is also registered under: 4-METHYLBENZYL ISOTHIOCYANATE, 4-甲基苄基硫代异氰酸酯, 96%.
Category: Organic Chemicals.
Packaging is agreed per order, from lab-scale packs to bulk, and confirmed with each order rather than fixed on the page. A Certificate of Analysis (COA) ships with every batch and MSDS is available; where the end use carries a regulatory limit (food contact, pharmaceutical or cosmetic), state the standard at enquiry and the grade is set against it.
Independent reference data for 4-METHYLBENZYL ISOTHIOCYANATE (CAS 3694-46-0), compiled from public chemistry databases.
| CAS Number | 3694-46-0 |
|---|---|
| PubChem CID | 19409 |
| Molecular Formula | C9H9NS |
| IUPAC Name | 1-(isothiocyanatomethyl)-4-methylbenzene |
| UNII (FDA) | NST594XT9P |
| Molecular Weight | 163.24 |
|---|---|
| XLogP3 | 3.5 |
| 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 |
1-(Isothiocyanatomethyl)-4-methylbenzene; RefChem:427915; 4-Methylbenzyl isothiocyanate; 3694-46-0; p-Methylbenzyl isothiocyanate; Benzene, 1-(isothiocyanatomethyl)-4-methyl-; ISOTHIOCYANIC ACID, p-METHYLBENZYL ESTER; NSC 221231; BRN 2082478; MFCD00041118; 4-Methylbenzylisothiocyanate; 4-12-00-02578 (Beilstein Handbook Reference); Benzene, 1-(isothiocyanatomethyl)-4-methyl- (9CI); NSC-221231; WLN: SCN1R D1; NST594XT9P
| Notified hazard statements | H302 (80%), H312 (80%), H314 (80%), H315 (20%), H319 (20%), H332 (80%), H335 (20%) |
|---|
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 4-甲基苄基硫代异氰酸酯, 96%