trans-ethyl (1R,2R)-1-methyl-2-[(4S)-2-sulfanylidene-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate

C10H14O4S — CID 10561449

About trans-ethyl (1R,2R)-1-methyl-2-[(4S)-2-sulfanylidene-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate

trans-ethyl (1R,2R)-1-methyl-2-[(4S)-2-sulfanylidene-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate (PubChem CID 10561449) has the molecular formula C10H14O4S and a molecular weight of 230.28 g/mol. Its IUPAC name is trans-ethyl (1R,2R)-1-methyl-2-[(4S)-2-sulfanylidene-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate.

Molecular Properties

• Compound Name: trans-ethyl (1R,2R)-1-methyl-2-[(4S)-2-sulfanylidene-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate
• PubChem CID: 10561449
• Molecular Formula: C10H14O4S
• Molecular Weight: 230.28 g/mol
• Exact Mass: 230.06
• IUPAC Name: trans-ethyl (1R,2R)-1-methyl-2-[(4S)-2-sulfanylidene-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate
• SMILES: CCOC(=O)[C@]1(C)C[C@H]1[C@H]1COC(=S)O1
• InChI: InChI=1S/C10H14O4S/c1-3-12-8(11)10(2)4-6(10)7-5-13-9(15)14-7/h6-7H,3-5H2,1-2H3/t6-,7+,10+/m0/s1
• InChIKey: SPDMPFOYXLJFDK-NYNCVSEMSA-N
• XLogP: 1.28
• TPSA: 44.76 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	230.28
LogP ≤ 5	1.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of trans-ethyl (1R,2R)-1-methyl-2-[(4S)-2-sulfanylidene-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate?

The IUPAC name of trans-ethyl (1R,2R)-1-methyl-2-[(4S)-2-sulfanylidene-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate (CID 10561449) is trans-ethyl (1R,2R)-1-methyl-2-[(4S)-2-sulfanylidene-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate.

What is the SMILES notation for trans-ethyl (1R,2R)-1-methyl-2-[(4S)-2-sulfanylidene-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate?

The canonical SMILES for trans-ethyl (1R,2R)-1-methyl-2-[(4S)-2-sulfanylidene-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate is CCOC(=O)[C@]1(C)C[C@H]1[C@H]1COC(=S)O1.

What is the InChIKey of trans-ethyl (1R,2R)-1-methyl-2-[(4S)-2-sulfanylidene-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate?

The InChIKey is SPDMPFOYXLJFDK-NYNCVSEMSA-N. The full InChI is InChI=1S/C10H14O4S/c1-3-12-8(11)10(2)4-6(10)7-5-13-9(15)14-7/h6-7H,3-5H2,1-2H3/t6-,7+,10+/m0/s1.

What are the key properties of trans-ethyl (1R,2R)-1-methyl-2-[(4S)-2-sulfanylidene-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate?

trans-ethyl (1R,2R)-1-methyl-2-[(4S)-2-sulfanylidene-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate has a molecular weight of 230.28 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for trans-ethyl (1R,2R)-1-methyl-2-[(4S)-2-sulfanylidene-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate is sourced from PubChem (CID 10561449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).