methyl 2-[2-(1,3-dioxolan-2-yl)thiophen-3-yl]sulfanylacetate

C10H12O4S2 — CID 15698034

IUPACmethyl 2-[2-(1,3-dioxolan-2-yl)thiophen-3-yl]sulfanylacetate
SMILESCOC(=O)CSc1ccsc1C1OCCO1
InChIInChI=1S/C10H12O4S2/c1-12-8(11)6-16-7-2-5-15-9(7)10-13-3-4-14-10/h2,5,10H,3-4,6H2,1H3
InChIKeyOBNYWAKZOABSKV-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.06
Rot. Bonds4

About methyl 2-[2-(1,3-dioxolan-2-yl)thiophen-3-yl]sulfanylacetate

methyl 2-[2-(1,3-dioxolan-2-yl)thiophen-3-yl]sulfanylacetate (PubChem CID 15698034) has the molecular formula C10H12O4S2 and a molecular weight of 260.34 g/mol. Its IUPAC name is methyl 2-[2-(1,3-dioxolan-2-yl)thiophen-3-yl]sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-[2-(1,3-dioxolan-2-yl)thiophen-3-yl]sulfanylacetate
PubChem CID15698034
Molecular FormulaC10H12O4S2
Molecular Weight260.34 g/mol
Exact Mass260.02
IUPAC Namemethyl 2-[2-(1,3-dioxolan-2-yl)thiophen-3-yl]sulfanylacetate
SMILESCOC(=O)CSc1ccsc1C1OCCO1
InChIInChI=1S/C10H12O4S2/c1-12-8(11)6-16-7-2-5-15-9(7)10-13-3-4-14-10/h2,5,10H,3-4,6H2,1H3
InChIKeyOBNYWAKZOABSKV-UHFFFAOYSA-N
XLogP2.06
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(1,3-dioxolan-2-yl)thiophen-3-yl]sulfanylacetate?
The IUPAC name of methyl 2-[2-(1,3-dioxolan-2-yl)thiophen-3-yl]sulfanylacetate (CID 15698034) is methyl 2-[2-(1,3-dioxolan-2-yl)thiophen-3-yl]sulfanylacetate.
What is the SMILES notation for methyl 2-[2-(1,3-dioxolan-2-yl)thiophen-3-yl]sulfanylacetate?
The canonical SMILES for methyl 2-[2-(1,3-dioxolan-2-yl)thiophen-3-yl]sulfanylacetate is COC(=O)CSc1ccsc1C1OCCO1.
What is the InChIKey of methyl 2-[2-(1,3-dioxolan-2-yl)thiophen-3-yl]sulfanylacetate?
The InChIKey is OBNYWAKZOABSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4S2/c1-12-8(11)6-16-7-2-5-15-9(7)10-13-3-4-14-10/h2,5,10H,3-4,6H2,1H3.
What are the key properties of methyl 2-[2-(1,3-dioxolan-2-yl)thiophen-3-yl]sulfanylacetate?
methyl 2-[2-(1,3-dioxolan-2-yl)thiophen-3-yl]sulfanylacetate has a molecular weight of 260.34 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(1,3-dioxolan-2-yl)thiophen-3-yl]sulfanylacetate is sourced from PubChem (CID 15698034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).