Methyl 1,3-dimethyl-2-thiabicyclo[3.1.0]hex-3-ene-6-carboxylate

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Basic information

CAS: 56666-52-5
Standard SMILES: COC(=O)C1C2C=C(C)SC21C
InChIKey: DUSUDXWPKQNEEA-UHFFFAOYSA-N
Molecular formula: C9H12O2S
Average molar mass: 184.26 g/mol
Monoisotopic mass: 184.05580079

Names & identifiers

Preferred name: Methyl 1,3-dimethyl-2-thiabicyclo[3.1.0]hex-3-ene-6-carboxylate
IUPAC: methyl 1,3-dimethyl-2-thiabicyclo[3.1.0]hex-3-ene-6-carboxylate
English name: 1,3-Dimethyl-2-thiabicyclo[3.1.0]hex-3-ene-6-carboxylic acid methyl ester
Molecular formula: C9H12O2S
Molecular weight: 184.26

Names & synonyms

56666-52-5Methyl 1,3-dimethyl-2-thiabicyclo[3.1.0]hex-3-ene-6-carboxylateDTXSID80342298DUSUDXWPKQNEEA-UHFFFAOYSA-N1,3-Dimethyl-2-thiabicyclo[3.1.0]hex-3-ene-6-carboxylic acid methyl ester2-Thiabicyclo[3.1.0]hex-3-ene-6-carboxylic acid, 1,3-dimethyl-, methyl esterDB-259180Methyl 1,3-dimethyl-2-thiabicyclo[3.1.0]hex-3-ene-6-carboxylate #

Database identifiers

CAS: 56666-52-5
PubChem CID: 580600
DTXSID: DTXSID80342298
Nikkaji: J113.746H

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 51.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 272

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Compound notes

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