2-(prop-1-enyldisulfanyl)butane

C7H14S2 — CID 73037756

IUPAC2-(prop-1-enyldisulfanyl)butane
SMILESCC=CSSC(C)CC
InChIInChI=1S/C7H14S2/c1-4-6-8-9-7(3)5-2/h4,6-7H,5H2,1-3H3
InChIKeyIOVUOUZQSDBAQN-UHFFFAOYSA-N
MW162.32 g/mol
LogP3.70
Rot. Bonds4

About 2-(prop-1-enyldisulfanyl)butane

2-(prop-1-enyldisulfanyl)butane (PubChem CID 73037756) has the molecular formula C7H14S2 and a molecular weight of 162.32 g/mol. Its IUPAC name is 2-(prop-1-enyldisulfanyl)butane.

Molecular Properties

Compound Name2-(prop-1-enyldisulfanyl)butane
PubChem CID73037756
Molecular FormulaC7H14S2
Molecular Weight162.32 g/mol
Exact Mass162.05
IUPAC Name2-(prop-1-enyldisulfanyl)butane
SMILESCC=CSSC(C)CC
InChIInChI=1S/C7H14S2/c1-4-6-8-9-7(3)5-2/h4,6-7H,5H2,1-3H3
InChIKeyIOVUOUZQSDBAQN-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.32
LogP ≤ 53.70
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

1-methylsulfanyl-1-(prop-1-enyldisulfanyl)propane
CID 5319790
(2S)-2-[[(2R)-butan-2-yl]disulfanyl]butane
CID 7458634
1-(prop-1-enyldisulfanyl)-1-prop-1-enylsulfinylpropane
CID 73094851
2-(butan-2-ylhexasulfanyl)butane
CID 102352533
2-but-2-enylsulfanylbutane
CID 72586716
2-ethylsulfanylbutane
CID 521270
3-(butan-2-yldisulfanyl)prop-2-enyl 3-hydroxy-3-methylbutanoate
CID 155891863
1-O-[3-(butan-2-yldisulfanyl)prop-2-enyl] 3-O-tert-butyl propanedioate
CID 73064917
2-(fluoromethylsulfanyl)butane
CID 139914131
1-(methyldisulfanyl)prop-1-ene
CID 521863
(E)-1-(methyldisulfanyl)prop-1-ene
CID 5366552
ethane;ethene;(Z)-1-ethylsulfanylprop-1-ene
CID 143200464

Frequently Asked Questions

What is the IUPAC name of 2-(prop-1-enyldisulfanyl)butane?
The IUPAC name of 2-(prop-1-enyldisulfanyl)butane (CID 73037756) is 2-(prop-1-enyldisulfanyl)butane.
What is the SMILES notation for 2-(prop-1-enyldisulfanyl)butane?
The canonical SMILES for 2-(prop-1-enyldisulfanyl)butane is CC=CSSC(C)CC.
What is the InChIKey of 2-(prop-1-enyldisulfanyl)butane?
The InChIKey is IOVUOUZQSDBAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14S2/c1-4-6-8-9-7(3)5-2/h4,6-7H,5H2,1-3H3.
What are the key properties of 2-(prop-1-enyldisulfanyl)butane?
2-(prop-1-enyldisulfanyl)butane has a molecular weight of 162.32 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-1-enyldisulfanyl)butane is sourced from PubChem (CID 73037756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).