1-O,4-O-bis(ethenyl) (E)-but-2-enebis(thioate)

C8H8O2S2 — CID 139619661

IUPAC1-O,4-O-bis(ethenyl) (E)-but-2-enebis(thioate)
SMILESC=COC(=S)/C=C/C(=S)OC=C
InChIInChI=1S/C8H8O2S2/c1-3-9-7(11)5-6-8(12)10-4-2/h3-6H,1-2H2/b6-5+
InChIKeyHDEOKRXKHONADO-AATRIKPKSA-N
MW200.28 g/mol
LogP2.52
Rot. Bonds4

About 1-O,4-O-bis(ethenyl) (E)-but-2-enebis(thioate)

1-O,4-O-bis(ethenyl) (E)-but-2-enebis(thioate) (PubChem CID 139619661) has the molecular formula C8H8O2S2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-O,4-O-bis(ethenyl) (E)-but-2-enebis(thioate).

Molecular Properties

Compound Name1-O,4-O-bis(ethenyl) (E)-but-2-enebis(thioate)
PubChem CID139619661
Molecular FormulaC8H8O2S2
Molecular Weight200.28 g/mol
Exact Mass200.00
IUPAC Name1-O,4-O-bis(ethenyl) (E)-but-2-enebis(thioate)
SMILESC=COC(=S)/C=C/C(=S)OC=C
InChIInChI=1S/C8H8O2S2/c1-3-9-7(11)5-6-8(12)10-4-2/h3-6H,1-2H2/b6-5+
InChIKeyHDEOKRXKHONADO-AATRIKPKSA-N
XLogP2.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

O-ethenyl 2-hydroxypropanethioate
CID 154156558
bis(ethenyl) (Z)-but-2-enedioate;ethene
CID 174990906
2-ethenoxyprop-2-ene-1,1,1-triol
CID 141084890
ethenyl carbonochloridate;methane;dihydrochloride
CID 174491534
bis(ethenyl) carbonate;ethene
CID 87073622
ethenyl hydrogen carbonate;methane
CID 175034349
ethenyl acetate
CID 7904
carbamodithioic acid;ethenoxyethene
CID 87921170
ethenyl acetate;oxalonitrile
CID 174923759
ethenyl (2E)-penta-2,4-dienoate
CID 87528503
O-ethenyl hexacosanethioate
CID 139759162
O-ethenyl hentriacontanethioate
CID 139759166

Frequently Asked Questions

What is the IUPAC name of 1-O,4-O-bis(ethenyl) (E)-but-2-enebis(thioate)?
The IUPAC name of 1-O,4-O-bis(ethenyl) (E)-but-2-enebis(thioate) (CID 139619661) is 1-O,4-O-bis(ethenyl) (E)-but-2-enebis(thioate).
What is the SMILES notation for 1-O,4-O-bis(ethenyl) (E)-but-2-enebis(thioate)?
The canonical SMILES for 1-O,4-O-bis(ethenyl) (E)-but-2-enebis(thioate) is C=COC(=S)/C=C/C(=S)OC=C.
What is the InChIKey of 1-O,4-O-bis(ethenyl) (E)-but-2-enebis(thioate)?
The InChIKey is HDEOKRXKHONADO-AATRIKPKSA-N. The full InChI is InChI=1S/C8H8O2S2/c1-3-9-7(11)5-6-8(12)10-4-2/h3-6H,1-2H2/b6-5+.
What are the key properties of 1-O,4-O-bis(ethenyl) (E)-but-2-enebis(thioate)?
1-O,4-O-bis(ethenyl) (E)-but-2-enebis(thioate) has a molecular weight of 200.28 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O,4-O-bis(ethenyl) (E)-but-2-enebis(thioate) is sourced from PubChem (CID 139619661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).