Basic information
- CAS
441-61-2- Standard SMILES
CCN(C)C(C)C=C(c1cccs1)c1cccs1- InChIKey
MORSAEFGQPDBKM-UHFFFAOYSA-N- Molecular formula
- C15H19NS2
- Average molar mass
- 277.5 g/mol
- Monoisotopic mass
- 277.09589196
Overview
Ethylmethylthiambutene is a heteroarene.
Names & identifiers
- Preferred name
- Ethylmethylthiambutene
- IUPAC
- N-ethyl-N-methyl-4,4-dithiophen-2-ylbut-3-en-2-amine
- English name
- ethylmethylthiambutene
- Molecular formula
- C15H19NS2
- Molecular weight
- 277.45
Names & synonyms
EthylmethylthiambuteneEmethibutin441-61-2EtilmetiltiambuteneEtilmetiltiambutenoEthylmethylthiambutenumNih-5145AethylmethylthiambutenumAcscn-9623Etilmetiltiambutene [DCIT]NIH 5145IDS-NE-004
Show more names
1-C-50NIH 5145-d3MORSAEFGQPDBKM-UHFFFAOYSA-NEMethibutin-d3 HydrochlorideEthylMethiaMbutene-d3 Hydrochlorideethyl-methyl-[1-methyl-3,3-bis(2-thienyl)allyl]amine
N-Ethyl-N,1-dimethyl-3,3-di-2-thienylallylamine722BFZ899QEtilmetiltiambuteno [INN-Spanish]Ethylmethylthiambutenum [INN-Latin]EINECS 207-128-83-BUTEN-2-AMINE, N-ETHYL-N-METHYL-4,4-DI-2-THIENYL-Ethylmethylthiambutene [INN:BAN:DCF]3-Ethylmethylamino-1,1-di-(2'-thienyl)-1-butene
Database identifiers
- CAS
441-61-2- PubChem CID
- 46424
- DTXSID
DTXSID60861937- ChEMBL
CHEMBL2106526- ChEBI
CHEBI:135149- UNII
- 722BFZ899Q
- EC Number
- 207-128-8
- Nikkaji
- J5.742H
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 59.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 272
Experimental & physicochemical properties
Drugs
DEA NFLIS-Drug Category -> Narcotic Analgesics
DEA Schedule I Controlled Substance -> Opiates
Physicochemical properties
- Boiling point
- 0.01 · bp0.01 110-113°; bp18 75-76°
- FDA UNII
- 722 BFZ899Q · 722BFZ899Q
- DEA Controlled Substances
- 9623 CSA · CSCN: 9623CSA SCH: Schedule INARC: Yes
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 ClassificationNot Classified
Hazard information
Regulatory InformationDEA schedule I controlled substance
Hazard Classes and CategoriesNot Classified
Safety data
- DEA Controlled Substances
- CSCN: 9623CSA SCH: Schedule INARC: Yes
Chemistry & industry
Applications
UsesA potent opioid analgesic with 1.3 times the potency of Morphine (M652290).
Additional notes
DefinitionChEBI: Ethylmethylthiambutene is a heteroarene.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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