methyl 3-isothiocyanatothiophene-2-carboxylate (CAS 81321-10-0) — formula C7H5NO2S2, molecular weight 199.3; category organic chemicals.
| CAS Number | 81321-10-0 |
|---|---|
| Molecular Formula | C7H5NO2S2 |
| Molecular Weight | 199.3 |
| LogP | 3.2 |
| Category | Organic Chemicals |
methyl 3-isothiocyanatothiophene-2-carboxylate is a carbon-based organic compound with CAS registry number 81321-10-0 and molecular formula C7H5NO2S2 (molecular weight 199.3), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 81321-10-0
Its molecular formula C7H5NO2S2 comprises 7 C, 5 H, 1 N, 2 O, 2 S atoms.
Also known as: methyl 3-isothiocyanatothiophene-2-carboxylate · 3-异硫氰酸噻吩-2-甲酸甲酯
Category: organic chemicals
The CAS registry number of methyl 3-isothiocyanatothiophene-2-carboxylate is 81321-10-0.
Molecular formula C7H5NO2S2, molecular weight 199.3.
It is also registered under: methyl 3-isothiocyanatothiophene-2-carboxylate, 3-异硫氰酸噻吩-2-甲酸甲酯.
Category: Organic Chemicals.
Independent reference data for methyl 3-isothiocyanatothiophene-2-carboxylate (CAS 81321-10-0), compiled from public chemistry databases.
| CAS Registry Number | 81321-10-0 |
|---|---|
| PubChem CID | 2777461 |
| Molecular formula | C7H5NO2S2 |
| IUPAC name | methyl 3-isothiocyanatothiophene-2-carboxylate |
| UNII (FDA) | ST51001532 |
| Molecular Weight | 199.3 |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 198.97617075 |
| Monoisotopic Mass | 198.97617075 |
| Topological Polar Surface Area | 99 |
| Heavy Atom Count | 12 |
81321-10-0; methyl 3-isothiocyanatothiophene-2-carboxylate; DTXSID70380528; RefChem:355072; DTXCID10331554; 814-284-6; C7H5NO2S2; METHYL3-ISOTHIOCYANATOTHIOPHENE-2-CARBOXYLATE; MFCD00052589; 2-Thiophenecarboxylicacid, 3-isothiocyanato-, methyl ester; methyl 3-isothiocyanato-2-thiophenecarboxylate; SCHEMBL2919829; RKBLURUDWDTMOB-UHFFFAOYSA-N; ALBB-034559; SBB092489; STL185520
| Reported hazard statements | H302 (100%), H312 (100%), H315 (100%), H319 (100%), H332 (100%), H335 (100%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
methyl 3-isothiocyanatothiophene-2-carboxylate · CAS 81321-10-0 · C7H5NO2S2. UNII ST51001532.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-异硫氰酸噻吩-2-甲酸甲酯