O-ethenylsulfonyl butanethioate

C6H10O3S2 — CID 89312425

IUPACO-ethenylsulfonyl butanethioate
SMILESC=CS(=O)(=O)OC(=S)CCC
InChIInChI=1S/C6H10O3S2/c1-3-5-6(10)9-11(7,8)4-2/h4H,2-3,5H2,1H3
InChIKeySYRYCIHWIGMAIL-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.60
Rot. Bonds4

About O-ethenylsulfonyl butanethioate

O-ethenylsulfonyl butanethioate (PubChem CID 89312425) has the molecular formula C6H10O3S2 and a molecular weight of 194.28 g/mol. Its IUPAC name is O-ethenylsulfonyl butanethioate.

Molecular Properties

Compound NameO-ethenylsulfonyl butanethioate
PubChem CID89312425
Molecular FormulaC6H10O3S2
Molecular Weight194.28 g/mol
Exact Mass194.01
IUPAC NameO-ethenylsulfonyl butanethioate
SMILESC=CS(=O)(=O)OC(=S)CCC
InChIInChI=1S/C6H10O3S2/c1-3-5-6(10)9-11(7,8)4-2/h4H,2-3,5H2,1H3
InChIKeySYRYCIHWIGMAIL-UHFFFAOYSA-N
XLogP1.60
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

ethenylsulfonyl propanoate
CID 174963868
ethenylsulfonyl 2-methylprop-2-enoate
CID 87143223
1-aminoethenyl ethenesulfonate
CID 174374088
azane;ethenylsulfonyl 2-methylprop-2-enoate
CID 88524432
O-(dimethylamino) butanethioate
CID 123777300
N,N-dipropylethenesulfonamide
CID 22164671
O-ethenyl heptadecanethioate
CID 139759138
O-ethenyl hexacosanethioate
CID 139759162
O-ethenyl hentriacontanethioate
CID 139759166
N-ethenyl-N-propan-2-ylbutanamide
CID 87389097
1-ethenylsulfonyloxyethyl ethenesulfonate
CID 175406937
fluoromethyl ethenesulfonate
CID 90383884

Frequently Asked Questions

What is the IUPAC name of O-ethenylsulfonyl butanethioate?
The IUPAC name of O-ethenylsulfonyl butanethioate (CID 89312425) is O-ethenylsulfonyl butanethioate.
What is the SMILES notation for O-ethenylsulfonyl butanethioate?
The canonical SMILES for O-ethenylsulfonyl butanethioate is C=CS(=O)(=O)OC(=S)CCC.
What is the InChIKey of O-ethenylsulfonyl butanethioate?
The InChIKey is SYRYCIHWIGMAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3S2/c1-3-5-6(10)9-11(7,8)4-2/h4H,2-3,5H2,1H3.
What are the key properties of O-ethenylsulfonyl butanethioate?
O-ethenylsulfonyl butanethioate has a molecular weight of 194.28 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-ethenylsulfonyl butanethioate is sourced from PubChem (CID 89312425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).