1-[(Z)-prop-1-enyl]sulfanylsulfinylpropane

C6H12OS2 — CID 14412548

IUPAC1-[(Z)-prop-1-enyl]sulfanylsulfinylpropane
SMILESC/C=C\SS(=O)CCC
InChIInChI=1S/C6H12OS2/c1-3-5-8-9(7)6-4-2/h3,5H,4,6H2,1-2H3/b5-3-
InChIKeyXLVMWOFYTFNDKM-HYXAFXHYSA-N
MW164.30 g/mol
LogP2.33
Rot. Bonds4

About 1-[(Z)-prop-1-enyl]sulfanylsulfinylpropane

1-[(Z)-prop-1-enyl]sulfanylsulfinylpropane (PubChem CID 14412548) has the molecular formula C6H12OS2 and a molecular weight of 164.30 g/mol. Its IUPAC name is 1-[(Z)-prop-1-enyl]sulfanylsulfinylpropane.

Molecular Properties

Compound Name1-[(Z)-prop-1-enyl]sulfanylsulfinylpropane
PubChem CID14412548
Molecular FormulaC6H12OS2
Molecular Weight164.30 g/mol
Exact Mass164.03
IUPAC Name1-[(Z)-prop-1-enyl]sulfanylsulfinylpropane
SMILESC/C=C\SS(=O)CCC
InChIInChI=1S/C6H12OS2/c1-3-5-8-9(7)6-4-2/h3,5H,4,6H2,1-2H3/b5-3-
InChIKeyXLVMWOFYTFNDKM-HYXAFXHYSA-N
XLogP2.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.30
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Allicin
CID 65036
S-Methyl 2-propene-1-sulfinothioate
CID 5319504
Thiosulfinate
CID 58219327
S-1-Propenyl 2-propenesulfinothioate
CID 10558949
S-2-Propenyl 1-propenesulfinothioate
CID 58219317
S-2-Propenyl 2-propene-1-sulfonothioate
CID 85776791
(Z)-[3-(Methylsulfinyl)-1-propenyl] 2-propenyl disulfide
CID 20216911
S-2-Propenyl 1-propanesulfinothioate
CID 20209224
S-2-Propenyl methanesulfinothioate
CID 20216915
(Z)-Methyl 3-(methylsulfinyl)-1-propenyl disulfide
CID 10214435
(Z)-S-1-Propenyl methanesulfinothioate
CID 14412546
Methyl 1-propenyl thiosulfinate
CID 5319763

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-prop-1-enyl]sulfanylsulfinylpropane?
The IUPAC name of 1-[(Z)-prop-1-enyl]sulfanylsulfinylpropane (CID 14412548) is 1-[(Z)-prop-1-enyl]sulfanylsulfinylpropane.
What is the SMILES notation for 1-[(Z)-prop-1-enyl]sulfanylsulfinylpropane?
The canonical SMILES for 1-[(Z)-prop-1-enyl]sulfanylsulfinylpropane is C/C=C\SS(=O)CCC.
What is the InChIKey of 1-[(Z)-prop-1-enyl]sulfanylsulfinylpropane?
The InChIKey is XLVMWOFYTFNDKM-HYXAFXHYSA-N. The full InChI is InChI=1S/C6H12OS2/c1-3-5-8-9(7)6-4-2/h3,5H,4,6H2,1-2H3/b5-3-.
What are the key properties of 1-[(Z)-prop-1-enyl]sulfanylsulfinylpropane?
1-[(Z)-prop-1-enyl]sulfanylsulfinylpropane has a molecular weight of 164.30 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-prop-1-enyl]sulfanylsulfinylpropane is sourced from PubChem (CID 14412548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).