1,2-bis(prop-2-enylsulfanyl)propane

C9H16S2 — CID 6428997

IUPAC1,2-bis(prop-2-enylsulfanyl)propane
SMILESC=CCSCC(C)SCC=C
InChIInChI=1S/C9H16S2/c1-4-6-10-8-9(3)11-7-5-2/h4-5,9H,1-2,6-8H2,3H3
InChIKeyALRSWITZDHDTPH-UHFFFAOYSA-N
MW188.36 g/mol
LogP3.21
Rot. Bonds7

About 1,2-bis(prop-2-enylsulfanyl)propane

1,2-bis(prop-2-enylsulfanyl)propane (PubChem CID 6428997) has the molecular formula C9H16S2 and a molecular weight of 188.36 g/mol. Its IUPAC name is 1,2-bis(prop-2-enylsulfanyl)propane.

Molecular Properties

Compound Name1,2-bis(prop-2-enylsulfanyl)propane
PubChem CID6428997
Molecular FormulaC9H16S2
Molecular Weight188.36 g/mol
Exact Mass188.07
IUPAC Name1,2-bis(prop-2-enylsulfanyl)propane
SMILESC=CCSCC(C)SCC=C
InChIInChI=1S/C9H16S2/c1-4-6-10-8-9(3)11-7-5-2/h4-5,9H,1-2,6-8H2,3H3
InChIKeyALRSWITZDHDTPH-UHFFFAOYSA-N
XLogP3.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.36
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(prop-2-enylsulfanyl)propane?
The IUPAC name of 1,2-bis(prop-2-enylsulfanyl)propane (CID 6428997) is 1,2-bis(prop-2-enylsulfanyl)propane.
What is the SMILES notation for 1,2-bis(prop-2-enylsulfanyl)propane?
The canonical SMILES for 1,2-bis(prop-2-enylsulfanyl)propane is C=CCSCC(C)SCC=C.
What is the InChIKey of 1,2-bis(prop-2-enylsulfanyl)propane?
The InChIKey is ALRSWITZDHDTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16S2/c1-4-6-10-8-9(3)11-7-5-2/h4-5,9H,1-2,6-8H2,3H3.
What are the key properties of 1,2-bis(prop-2-enylsulfanyl)propane?
1,2-bis(prop-2-enylsulfanyl)propane has a molecular weight of 188.36 g/mol, XLogP of 3.21, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(prop-2-enylsulfanyl)propane is sourced from PubChem (CID 6428997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).