Basic information
- CAS
351983-32-9- Standard SMILES
CC(C)OC(=O)c1c(N)sc2c1CCCCC2- InChIKey
WUJCNUNGGPFMTP-UHFFFAOYSA-N- Molecular formula
- C13H19NO2S
- Average molar mass
- 253.36 g/mol
- Monoisotopic mass
- 253.11365002
Names & identifiers
- Preferred name
- isopropyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
- IUPAC
- propan-2-yl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
- English name
- AKOS B000704
- Molecular formula
- C13H19NO2S
- Molecular weight
- 253.36
Names & synonyms
351983-32-9isopropyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylatepropan-2-yl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylateMFCD01114971propan-2-yl 2-amino-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylateCBMicro_017716Oprea1_232446DTXSID201134802ALBB-001612BBL016129CCG-14262SBB019608
Show more names
IVK/9099029ZINC05101166AKOS B000704ART-CHEM-BB B000704isopropyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[d]thiophene-3-carboxylatepropan-2-yl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[d]thiophene-3-carboxylate
STK348710AKOS000304221VS-05158BIM-0017905.P001CS-0227508EN300-227703H21570SR-01000228668
Database identifiers
- CAS
351983-32-9
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 80.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 283
Physicochemical properties
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers3 total
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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