3-CYANOPHENYL ISOTHIOCYANATE (CAS 3125-78-8) — formula C8H4N2S, molecular weight 160.20; category organic chemicals.
| CAS Number | 3125-78-8 |
|---|---|
| Molecular Formula | C8H4N2S |
| Molecular Weight | 160.20 |
| LogP | 3.13 |
| Category | Organic Chemicals |
3-CYANOPHENYL ISOTHIOCYANATE is a carbon-based organic compound with CAS registry number 3125-78-8 and molecular formula C8H4N2S (molecular weight 160.20), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 3125-78-8
Its molecular formula C8H4N2S comprises 8 C, 4 H, 2 N, 1 S atoms.
Also known as: 3-CYANOPHENYL ISOTHIOCYANATE · 3-氰基苯基异硫氰酸酯
Category: organic chemicals
The CAS registry number of 3-CYANOPHENYL ISOTHIOCYANATE is 3125-78-8.
Molecular formula C8H4N2S, molecular weight 160.20.
It is also registered under: 3-CYANOPHENYL ISOTHIOCYANATE, 3-氰基苯基异硫氰酸酯.
Category: Organic Chemicals.
Independent reference data for 3-CYANOPHENYL ISOTHIOCYANATE (CAS 3125-78-8), compiled from public chemistry databases.
| CAS 号 | 3125-78-8 |
|---|---|
| PubChem CID | 76578 |
| 分子式 | C8H4N2S |
| IUPAC 名称 | 3-isothiocyanatobenzonitrile |
| UNII（FDA） | ST50824779 |
| Molecular Weight | 160.20 |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 160.00951931 |
| Monoisotopic Mass | 160.00951931 |
| Topological Polar Surface Area | 68.2 |
| Heavy Atom Count | 11 |
| LogP | 3.13 |
|---|
3-Cyanophenyl isothiocyanate; 3-isothiocyanatobenzonitrile; RefChem:500648; 625-819-6; 3125-78-8; 3-CYANOPHENylisoTHIOCYANATE; Benzonitrile, 3-isothiocyanato-; MFCD00041070; m-Cyanophenyl isothiocyanate; SCHEMBL843325; SCHEMBL29724730; DTXSID50185179; 3-isothiocyanatobenzenecarbonitrile; UXCYPHCFQAFVFH-UHFFFAOYSA-N; 3-Cyanophenyl isothiocyanate, 98%; AKOS000212350
| 已通报的危害声明 | H302 (97.7%), H312 (97.7%), H314 (97.7%), H317 (88.6%), H332 (97.7%), H334 (88.6%) |
|---|
3-氰基苯基异硫氰酸酯 · CAS 3125-78-8 · C8H4N2S. UNII ST50824779. LogP: 3.13.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-氰基苯基异硫氰酸酯