Basic information
- CAS
328262-36-8- Standard SMILES
CCOC(=O)c1c(NC(=O)OC)sc2c1CCCC2- InChIKey
LXBRUXWSQWLREU-UHFFFAOYSA-N- Molecular formula
- C13H17NO4S
- Average molar mass
- 283.35 g/mol
- Monoisotopic mass
- 283.0878292
Names & identifiers
- Preferred name
- Ethyl 2-[(methoxycarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- IUPAC
- ethyl 2-(methoxycarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- English name
- ethyl 2-[(methoxycarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- Molecular formula
- C13H17NO4S
- Molecular weight
- 283.34338
Names & synonyms
ethyl 2-[(methoxycarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate328262-36-8Ethyl 2-((methoxycarbonyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylatestarbld0020782TimTec1_000781ethyl 2-(methoxycarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateHMS1536D11BBL007757MFCD00583750STK279668AKOS003239611NCGC00175127-01
Show more names
ST011918VS-01708CS-0327835AG-690/10107042SR-01000201487SR-01000201487-12-METHOXYCARBONYLAMINO-4,5,6,7-4H-BENZO(B)THIOPHENE-3-CARBOXYLIC ACID ET ESTERethyl 2-(methoxycarbonylamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxyla te
Database identifiers
- CAS
328262-36-8- PubChem CID
- 720189
- EC Number
- 163-678-8
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 92.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 350
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…