(Z)-1,2-bis(propylsulfanyl)prop-1-ene

C9H18S2 — CID 13151365

IUPAC(Z)-1,2-bis(propylsulfanyl)prop-1-ene
SMILESCCCS/C=C(/C)SCCC
InChIInChI=1S/C9H18S2/c1-4-6-10-8-9(3)11-7-5-2/h8H,4-7H2,1-3H3/b9-8-
InChIKeyVECKYQMPBQDKPY-HJWRWDBZSA-N
MW190.38 g/mol
LogP4.13
Rot. Bonds6

About (Z)-1,2-bis(propylsulfanyl)prop-1-ene

(Z)-1,2-bis(propylsulfanyl)prop-1-ene (PubChem CID 13151365) has the molecular formula C9H18S2 and a molecular weight of 190.38 g/mol. Its IUPAC name is (Z)-1,2-bis(propylsulfanyl)prop-1-ene.

Molecular Properties

Compound Name(Z)-1,2-bis(propylsulfanyl)prop-1-ene
PubChem CID13151365
Molecular FormulaC9H18S2
Molecular Weight190.38 g/mol
Exact Mass190.08
IUPAC Name(Z)-1,2-bis(propylsulfanyl)prop-1-ene
SMILESCCCS/C=C(/C)SCCC
InChIInChI=1S/C9H18S2/c1-4-6-10-8-9(3)11-7-5-2/h8H,4-7H2,1-3H3/b9-8-
InChIKeyVECKYQMPBQDKPY-HJWRWDBZSA-N
XLogP4.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.38
LogP ≤ 54.13
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 (Z)-1,2-bis(propylsulfanyl)prop-1-ene?
The IUPAC name of (Z)-1,2-bis(propylsulfanyl)prop-1-ene (CID 13151365) is (Z)-1,2-bis(propylsulfanyl)prop-1-ene.
What is the SMILES notation for (Z)-1,2-bis(propylsulfanyl)prop-1-ene?
The canonical SMILES for (Z)-1,2-bis(propylsulfanyl)prop-1-ene is CCCS/C=C(/C)SCCC.
What is the InChIKey of (Z)-1,2-bis(propylsulfanyl)prop-1-ene?
The InChIKey is VECKYQMPBQDKPY-HJWRWDBZSA-N. The full InChI is InChI=1S/C9H18S2/c1-4-6-10-8-9(3)11-7-5-2/h8H,4-7H2,1-3H3/b9-8-.
What are the key properties of (Z)-1,2-bis(propylsulfanyl)prop-1-ene?
(Z)-1,2-bis(propylsulfanyl)prop-1-ene has a molecular weight of 190.38 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,2-bis(propylsulfanyl)prop-1-ene is sourced from PubChem (CID 13151365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).