1-[[(E)-prop-1-enyl]disulfanyl]-1-[(Z)-prop-1-enyl]sulfanylpropane

C9H16S3 — CID 131752500

IUPAC1-[[(E)-prop-1-enyl]disulfanyl]-1-[(Z)-prop-1-enyl]sulfanylpropane
SMILESC/C=C\SC(CC)SS/C=C/C
InChIInChI=1S/C9H16S3/c1-4-7-10-9(6-3)12-11-8-5-2/h4-5,7-9H,6H2,1-3H3/b7-4-,8-5+
InChIKeyYFTPKQUIYROJDX-DKBJKEKUSA-N
MW220.43 g/mol
LogP4.90
Rot. Bonds6

About 1-[[(E)-prop-1-enyl]disulfanyl]-1-[(Z)-prop-1-enyl]sulfanylpropane

1-[[(E)-prop-1-enyl]disulfanyl]-1-[(Z)-prop-1-enyl]sulfanylpropane (PubChem CID 131752500) has the molecular formula C9H16S3 and a molecular weight of 220.43 g/mol. Its IUPAC name is 1-[[(E)-prop-1-enyl]disulfanyl]-1-[(Z)-prop-1-enyl]sulfanylpropane.

Molecular Properties

Compound Name1-[[(E)-prop-1-enyl]disulfanyl]-1-[(Z)-prop-1-enyl]sulfanylpropane
PubChem CID131752500
Molecular FormulaC9H16S3
Molecular Weight220.43 g/mol
Exact Mass220.04
IUPAC Name1-[[(E)-prop-1-enyl]disulfanyl]-1-[(Z)-prop-1-enyl]sulfanylpropane
SMILESC/C=C\SC(CC)SS/C=C/C
InChIInChI=1S/C9H16S3/c1-4-7-10-9(6-3)12-11-8-5-2/h4-5,7-9H,6H2,1-3H3/b7-4-,8-5+
InChIKeyYFTPKQUIYROJDX-DKBJKEKUSA-N
XLogP4.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.43
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[(E)-prop-1-enyl]disulfanyl]-1-[(Z)-prop-1-enyl]sulfanylpropane?
The IUPAC name of 1-[[(E)-prop-1-enyl]disulfanyl]-1-[(Z)-prop-1-enyl]sulfanylpropane (CID 131752500) is 1-[[(E)-prop-1-enyl]disulfanyl]-1-[(Z)-prop-1-enyl]sulfanylpropane.
What is the SMILES notation for 1-[[(E)-prop-1-enyl]disulfanyl]-1-[(Z)-prop-1-enyl]sulfanylpropane?
The canonical SMILES for 1-[[(E)-prop-1-enyl]disulfanyl]-1-[(Z)-prop-1-enyl]sulfanylpropane is C/C=C\SC(CC)SS/C=C/C.
What is the InChIKey of 1-[[(E)-prop-1-enyl]disulfanyl]-1-[(Z)-prop-1-enyl]sulfanylpropane?
The InChIKey is YFTPKQUIYROJDX-DKBJKEKUSA-N. The full InChI is InChI=1S/C9H16S3/c1-4-7-10-9(6-3)12-11-8-5-2/h4-5,7-9H,6H2,1-3H3/b7-4-,8-5+.
What are the key properties of 1-[[(E)-prop-1-enyl]disulfanyl]-1-[(Z)-prop-1-enyl]sulfanylpropane?
1-[[(E)-prop-1-enyl]disulfanyl]-1-[(Z)-prop-1-enyl]sulfanylpropane has a molecular weight of 220.43 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(E)-prop-1-enyl]disulfanyl]-1-[(Z)-prop-1-enyl]sulfanylpropane is sourced from PubChem (CID 131752500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).