Propan-2-yl 2-(2-chloroacetamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Basic information
- CAS
519016-74-1- Standard SMILES
CC1CCc2c(sc(NC(=O)CCl)c2C(=O)OC(C)C)C1- InChIKey
NBJWJGJVEILOQF-UHFFFAOYSA-N- Molecular formula
- C15H20ClNO3S
- Average molar mass
- 329.8 g/mol
- Monoisotopic mass
- 329.0852424
Names & identifiers
- Preferred name
- Propan-2-yl 2-(2-chloroacetamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- IUPAC
- propan-2-yl 2-[(2-chloroacetyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Names & synonyms
519016-74-1propan-2-yl 2-(2-chloroacetamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate2-(2-Chloro-acetylamino)-6-methyl-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid isopropyl esterpropan-2-yl 2-[(2-chloroacetyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateUVA01674SBB078055AKOS003873567UPCMLD0ENAT0516-8821:001CS-0219963EN300-05434G38287Z56914796
Show more names
isopropyl 2-[(2-chloroacetyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylatemethylethyl 2-(2-chloroacetylamino)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophe ne-3-carboxylatepropan-2-yl2-(2-chloroacetamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Database identifiers
- CAS
519016-74-1- PubChem CID
- 4339534
- EC Number
- 139-906-7
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 404
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, 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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…