2-methyl-1-prop-2-enylsulfanylbutane

C8H16S — CID 13315726

IUPAC2-methyl-1-prop-2-enylsulfanylbutane
SMILESC=CCSCC(C)CC
InChIInChI=1S/C8H16S/c1-4-6-9-7-8(3)5-2/h4,8H,1,5-7H2,2-3H3
InChIKeyGFEWYUVDSGJQRM-UHFFFAOYSA-N
MW144.28 g/mol
LogP2.95
Rot. Bonds5

About 2-methyl-1-prop-2-enylsulfanylbutane

2-methyl-1-prop-2-enylsulfanylbutane (PubChem CID 13315726) has the molecular formula C8H16S and a molecular weight of 144.28 g/mol. Its IUPAC name is 2-methyl-1-prop-2-enylsulfanylbutane.

Molecular Properties

Compound Name2-methyl-1-prop-2-enylsulfanylbutane
PubChem CID13315726
Molecular FormulaC8H16S
Molecular Weight144.28 g/mol
Exact Mass144.10
IUPAC Name2-methyl-1-prop-2-enylsulfanylbutane
SMILESC=CCSCC(C)CC
InChIInChI=1S/C8H16S/c1-4-6-9-7-8(3)5-2/h4,8H,1,5-7H2,2-3H3
InChIKeyGFEWYUVDSGJQRM-UHFFFAOYSA-N
XLogP2.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Sulfide, allyl pentyl
CID 525486
trans-1-(t-Butylthio)-2-butene
CID 5462748
1-But-2-enylsulfanyl-3-methylbutane
CID 163192317
5-Methyl-4,7-dithia-1,9-decadiene
CID 6428997
2-Butenyl t-butyl sulfide
CID 145445
2-But-3-enylsulfanyl-2-methylpropane
CID 12385580
6-Methyl-4,5,8-trithia-1,10-undecadiene
CID 6428998
Allyl 1,1-dimethylpropyl sulfide
CID 525489
Allyl isobutyl sulfide
CID 6429349
Allyl (3-methylbutyl) sulfide
CID 534495
Isobutyl 2-methyl-2-propenyl sulfide
CID 13356818
(E)-3-prop-2-enylsulfanyl-1-propylsulfanylprop-1-ene
CID 13586219

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-prop-2-enylsulfanylbutane?
The IUPAC name of 2-methyl-1-prop-2-enylsulfanylbutane (CID 13315726) is 2-methyl-1-prop-2-enylsulfanylbutane.
What is the SMILES notation for 2-methyl-1-prop-2-enylsulfanylbutane?
The canonical SMILES for 2-methyl-1-prop-2-enylsulfanylbutane is C=CCSCC(C)CC.
What is the InChIKey of 2-methyl-1-prop-2-enylsulfanylbutane?
The InChIKey is GFEWYUVDSGJQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16S/c1-4-6-9-7-8(3)5-2/h4,8H,1,5-7H2,2-3H3.
What are the key properties of 2-methyl-1-prop-2-enylsulfanylbutane?
2-methyl-1-prop-2-enylsulfanylbutane has a molecular weight of 144.28 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-prop-2-enylsulfanylbutane is sourced from PubChem (CID 13315726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).