2-methyl-3-prop-2-enylsulfanylbutane

C8H16S — CID 525492

IUPAC2-methyl-3-prop-2-enylsulfanylbutane
SMILESC=CCSC(C)C(C)C
InChIInChI=1S/C8H16S/c1-5-6-9-8(4)7(2)3/h5,7-8H,1,6H2,2-4H3
InChIKeyAVHRBMFFYICAIH-UHFFFAOYSA-N
MW144.28 g/mol
LogP2.95
Rot. Bonds4

About 2-methyl-3-prop-2-enylsulfanylbutane

2-methyl-3-prop-2-enylsulfanylbutane (PubChem CID 525492) has the molecular formula C8H16S and a molecular weight of 144.28 g/mol. Its IUPAC name is 2-methyl-3-prop-2-enylsulfanylbutane.

Molecular Properties

Compound Name2-methyl-3-prop-2-enylsulfanylbutane
PubChem CID525492
Molecular FormulaC8H16S
Molecular Weight144.28 g/mol
Exact Mass144.10
IUPAC Name2-methyl-3-prop-2-enylsulfanylbutane
SMILESC=CCSC(C)C(C)C
InChIInChI=1S/C8H16S/c1-5-6-9-8(4)7(2)3/h5,7-8H,1,6H2,2-4H3
InChIKeyAVHRBMFFYICAIH-UHFFFAOYSA-N
XLogP2.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.28
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,5-bis(prop-2-enylsulfanyl)hex-3-yne
CID 10962296
2-prop-2-enylsulfanyl-1-(prop-2-enyltrisulfanyl)propane
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2-prop-2-enylsulfanylbutan-1-amine
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1-prop-2-enylsulfanylpropane-2-thiol
CID 14297241
4-propan-2-ylhepta-1,6-diene
CID 14140894
1,2-bis(prop-2-enyldisulfanyl)propane
CID 14223530
1-[2,3-bis(prop-2-enylsulfanyl)propyldisulfanyl]-2,3-bis(prop-2-enylsulfanyl)propane
CID 20768493
CID 173446533
CID 173446533
4-ethyl-5-(2-prop-2-enylsulfanylpropyl)-1,3-dioxol-2-one
CID 148557368
1-chloro-4-(2-prop-2-enylsulfanylpropoxy)benzene
CID 13428928
(2R)-2-propan-2-ylpent-4-enal
CID 44521428
dodecane-1-thiol;3-prop-2-enylsulfanylprop-1-ene
CID 174643113

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-prop-2-enylsulfanylbutane?
The IUPAC name of 2-methyl-3-prop-2-enylsulfanylbutane (CID 525492) is 2-methyl-3-prop-2-enylsulfanylbutane.
What is the SMILES notation for 2-methyl-3-prop-2-enylsulfanylbutane?
The canonical SMILES for 2-methyl-3-prop-2-enylsulfanylbutane is C=CCSC(C)C(C)C.
What is the InChIKey of 2-methyl-3-prop-2-enylsulfanylbutane?
The InChIKey is AVHRBMFFYICAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16S/c1-5-6-9-8(4)7(2)3/h5,7-8H,1,6H2,2-4H3.
What are the key properties of 2-methyl-3-prop-2-enylsulfanylbutane?
2-methyl-3-prop-2-enylsulfanylbutane has a molecular weight of 144.28 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-prop-2-enylsulfanylbutane is sourced from PubChem (CID 525492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).