1-[(Z)-2-butylsulfanylprop-1-enyl]sulfanylbutane

C11H22S2 — CID 13151366

IUPAC1-[(Z)-2-butylsulfanylprop-1-enyl]sulfanylbutane
SMILESCCCCS/C=C(/C)SCCCC
InChIInChI=1S/C11H22S2/c1-4-6-8-12-10-11(3)13-9-7-5-2/h10H,4-9H2,1-3H3/b11-10-
InChIKeyRXXDZVMTCPSUPU-KHPPLWFESA-N
MW218.43 g/mol
LogP4.91
Rot. Bonds8

About 1-[(Z)-2-butylsulfanylprop-1-enyl]sulfanylbutane

1-[(Z)-2-butylsulfanylprop-1-enyl]sulfanylbutane (PubChem CID 13151366) has the molecular formula C11H22S2 and a molecular weight of 218.43 g/mol. Its IUPAC name is 1-[(Z)-2-butylsulfanylprop-1-enyl]sulfanylbutane.

Molecular Properties

Compound Name1-[(Z)-2-butylsulfanylprop-1-enyl]sulfanylbutane
PubChem CID13151366
Molecular FormulaC11H22S2
Molecular Weight218.43 g/mol
Exact Mass218.12
IUPAC Name1-[(Z)-2-butylsulfanylprop-1-enyl]sulfanylbutane
SMILESCCCCS/C=C(/C)SCCCC
InChIInChI=1S/C11H22S2/c1-4-6-8-12-10-11(3)13-9-7-5-2/h10H,4-9H2,1-3H3/b11-10-
InChIKeyRXXDZVMTCPSUPU-KHPPLWFESA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.43
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-butylsulfanylprop-1-enyl]sulfanylbutane?
The IUPAC name of 1-[(Z)-2-butylsulfanylprop-1-enyl]sulfanylbutane (CID 13151366) is 1-[(Z)-2-butylsulfanylprop-1-enyl]sulfanylbutane.
What is the SMILES notation for 1-[(Z)-2-butylsulfanylprop-1-enyl]sulfanylbutane?
The canonical SMILES for 1-[(Z)-2-butylsulfanylprop-1-enyl]sulfanylbutane is CCCCS/C=C(/C)SCCCC.
What is the InChIKey of 1-[(Z)-2-butylsulfanylprop-1-enyl]sulfanylbutane?
The InChIKey is RXXDZVMTCPSUPU-KHPPLWFESA-N. The full InChI is InChI=1S/C11H22S2/c1-4-6-8-12-10-11(3)13-9-7-5-2/h10H,4-9H2,1-3H3/b11-10-.
What are the key properties of 1-[(Z)-2-butylsulfanylprop-1-enyl]sulfanylbutane?
1-[(Z)-2-butylsulfanylprop-1-enyl]sulfanylbutane has a molecular weight of 218.43 g/mol, XLogP of 4.91, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-butylsulfanylprop-1-enyl]sulfanylbutane is sourced from PubChem (CID 13151366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).