ETHYL 2-ISOTHIOCYANATO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE (CAS 85716-87-6) — formula C12H13NO2S2, molecular weight 267.4; category organic chemicals.
| CAS Number | 85716-87-6 |
|---|---|
| Molecular Formula | C12H13NO2S2 |
| Molecular Weight | 267.4 |
| LogP | 4.8 |
| Category | Organic Chemicals |
ETHYL 2-ISOTHIOCYANATO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE is a carbon-based organic compound with CAS registry number 85716-87-6 and molecular formula C12H13NO2S2 (molecular weight 267.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 85716-87-6
Its molecular formula C12H13NO2S2 comprises 12 C, 13 H, 1 N, 2 O, 2 S atoms.
Also known as: ETHYL 2-ISOTHIOCYANATO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE · 2-硫代异氰酸酯邻-4,5,6,7-四氢苯并噻吩-3-羧酸乙酯
Category: organic chemicals
The CAS registry number of ETHYL 2-ISOTHIOCYANATO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE is 85716-87-6.
Molecular formula C12H13NO2S2, molecular weight 267.4.
It is also registered under: ETHYL 2-ISOTHIOCYANATO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, 2-硫代异氰酸酯邻-4,5,6,7-四氢苯并噻吩-3-羧酸乙酯.
Category: Organic Chemicals.
Independent reference data for ETHYL 2-ISOTHIOCYANATO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE (CAS 85716-87-6), compiled from public chemistry databases.
| CAS 号 | 85716-87-6 |
|---|---|
| PubChem CID | 2779675 |
| 分子式 | C12H13NO2S2 |
| IUPAC 名称 | ethyl 2-isothiocyanato-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| UNII（FDA） | ST50844337 |
| Molecular Weight | 267.4 |
|---|---|
| XLogP3 | 4.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 267.03877100 |
| Monoisotopic Mass | 267.03877100 |
| Topological Polar Surface Area | 99 |
| Heavy Atom Count | 17 |
85716-87-6; ethyl 2-isothiocyanato-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate; MFCD03086212; ETHYL2-ISOTHIOCYANATO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE; 2-isothiocyanato-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester; A841423; SCHEMBL3641174; DTXSID30381495; UGKJYSQOLXXTJG-UHFFFAOYSA-N; ALBB-003081; BBL016906; STK436907; AKOS000310004; ethyl 4,5,6,7-tetrahydro-2-isothiocyanatobenzo[b]thiophene-3-carboxylate; Benzo[b]thiophene-3-carboxylicacid, 4,5,6,7-tetrahydro-2-isothiocyanato-, ethyl ester; VS-05676
2-硫代异氰酸酯邻-4,5,6,7-四氢苯并噻吩-3-羧酸乙酯 · CAS 85716-87-6 · C12H13NO2S2. UNII ST50844337.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.