bis(3-sulfanylprop-2-enyl) carbonate

C7H10O3S2 — CID 173002840

IUPACbis(3-sulfanylprop-2-enyl) carbonate
SMILESO=C(OCC=CS)OCC=CS
InChIInChI=1S/C7H10O3S2/c8-7(9-3-1-5-11)10-4-2-6-12/h1-2,5-6,11-12H,3-4H2
InChIKeyJKDKLVNXVJZADT-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.03
Rot. Bonds4

About bis(3-sulfanylprop-2-enyl) carbonate

bis(3-sulfanylprop-2-enyl) carbonate (PubChem CID 173002840) has the molecular formula C7H10O3S2 and a molecular weight of 206.29 g/mol. Its IUPAC name is bis(3-sulfanylprop-2-enyl) carbonate.

Molecular Properties

Compound Namebis(3-sulfanylprop-2-enyl) carbonate
PubChem CID173002840
Molecular FormulaC7H10O3S2
Molecular Weight206.29 g/mol
Exact Mass206.01
IUPAC Namebis(3-sulfanylprop-2-enyl) carbonate
SMILESO=C(OCC=CS)OCC=CS
InChIInChI=1S/C7H10O3S2/c8-7(9-3-1-5-11)10-4-2-6-12/h1-2,5-6,11-12H,3-4H2
InChIKeyJKDKLVNXVJZADT-UHFFFAOYSA-N
XLogP2.03
TPSA35.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(3-sulfanylprop-2-enyl) carbonate?
The IUPAC name of bis(3-sulfanylprop-2-enyl) carbonate (CID 173002840) is bis(3-sulfanylprop-2-enyl) carbonate.
What is the SMILES notation for bis(3-sulfanylprop-2-enyl) carbonate?
The canonical SMILES for bis(3-sulfanylprop-2-enyl) carbonate is O=C(OCC=CS)OCC=CS.
What is the InChIKey of bis(3-sulfanylprop-2-enyl) carbonate?
The InChIKey is JKDKLVNXVJZADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3S2/c8-7(9-3-1-5-11)10-4-2-6-12/h1-2,5-6,11-12H,3-4H2.
What are the key properties of bis(3-sulfanylprop-2-enyl) carbonate?
bis(3-sulfanylprop-2-enyl) carbonate has a molecular weight of 206.29 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-sulfanylprop-2-enyl) carbonate is sourced from PubChem (CID 173002840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).