Ethyl DL-3-isothiocyanatobutyrate (CAS 206750-29-0) — formula C7H11NO2S, molecular weight 173.24; category organic chemicals.
| CAS Number | 206750-29-0 |
|---|---|
| Molecular Formula | C7H11NO2S |
| Molecular Weight | 173.24 |
| LogP | 2.2 |
| Category | Organic Chemicals |
Ethyl DL-3-isothiocyanatobutyrate is a carbon-based organic compound with CAS registry number 206750-29-0 and molecular formula C7H11NO2S (molecular weight 173.24), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 206750-29-0
Its molecular formula C7H11NO2S comprises 7 C, 11 H, 1 N, 2 O, 1 S atoms.
Also known as: Ethyl DL-3-isothiocyanatobutyrate · DL-3-异硫氰酸丁酸乙酯
Category: organic chemicals
The CAS registry number of Ethyl DL-3-isothiocyanatobutyrate is 206750-29-0.
Molecular formula C7H11NO2S, molecular weight 173.24.
It is also registered under: Ethyl DL-3-isothiocyanatobutyrate, DL-3-异硫氰酸丁酸乙酯.
Category: Organic Chemicals.
Independent reference data for Ethyl DL-3-isothiocyanatobutyrate (CAS 206750-29-0), compiled from public chemistry databases.
| CAS Registry Number | 206750-29-0 |
|---|---|
| PubChem CID | 559293 |
| Molecular formula | C7H11NO2S |
| IUPAC name | ethyl 3-isothiocyanatobutanoate |
| Molecular Weight | 173.24 |
|---|---|
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 173.05104977 |
| Monoisotopic Mass | 173.05104977 |
| Topological Polar Surface Area | 70.8 |
| Heavy Atom Count | 11 |
Ethyl 3-isothiocyanatobutanoate; RefChem:595000; Ethyl 3-isothiocyanatobutyrate; 206750-29-0; Ethyl dl-3-isothiocyanatobutyrate; Butanoic acid, 3-isothiocyanato-, ethyl ester; MFCD00041107; SCHEMBL1456992; DTXSID90339871; Ethyl 3-isothiocyanatobutanoate #; AKOS006229640; FS-5670; G92386; F008964
| Reported hazard statements | H302 (100%), H312 (100%), H314 (80%), H315 (20%), H319 (20%), H331 (80%), H332 (20%), H335 (20%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
Ethyl DL-3-isothiocyanatobutyrate · CAS 206750-29-0 · C7H11NO2S.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: DL-3-异硫氰酸丁酸乙酯