1-prop-1-en-2-ylsulfanylbutane

C7H14S — CID 88558402

IUPAC1-prop-1-en-2-ylsulfanylbutane
SMILESC=C(C)SCCCC
InChIInChI=1S/C7H14S/c1-4-5-6-8-7(2)3/h2,4-6H2,1,3H3
InChIKeyRGFZNJHRJLVFJS-UHFFFAOYSA-N
MW130.26 g/mol
LogP3.05
Rot. Bonds4

About 1-prop-1-en-2-ylsulfanylbutane

1-prop-1-en-2-ylsulfanylbutane (PubChem CID 88558402) has the molecular formula C7H14S and a molecular weight of 130.26 g/mol. Its IUPAC name is 1-prop-1-en-2-ylsulfanylbutane.

Molecular Properties

Compound Name1-prop-1-en-2-ylsulfanylbutane
PubChem CID88558402
Molecular FormulaC7H14S
Molecular Weight130.26 g/mol
Exact Mass130.08
IUPAC Name1-prop-1-en-2-ylsulfanylbutane
SMILESC=C(C)SCCCC
InChIInChI=1S/C7H14S/c1-4-5-6-8-7(2)3/h2,4-6H2,1,3H3
InChIKeyRGFZNJHRJLVFJS-UHFFFAOYSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.26
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-prop-1-en-2-ylsulfanylpropane
CID 118361917
ethane;1-prop-1-en-2-ylsulfanylpropane
CID 171074458
2,3-bis(butylsulfanyl)buta-1,3-diene
CID 87361196
butylsulfanyl(propylsulfanyl)methanone
CID 101135926
2-butylsulfanylhex-2-ene
CID 71441650
3-butylsulfanyl-2-(butylsulfanylmethyl)prop-1-ene
CID 88752987
1-dodecylsulfanyldodecane;2-methylprop-1-ene
CID 88731676
pentyl ethanedithioate
CID 157162445
S-heptadecyl ethanethioate
CID 540884
CID 159121999
CID 159121999
ethane;hexane;2-methylprop-1-ene;propane
CID 145358355
S-butyl 2,2-dimethylpropanethioate
CID 12634487

Frequently Asked Questions

What is the IUPAC name of 1-prop-1-en-2-ylsulfanylbutane?
The IUPAC name of 1-prop-1-en-2-ylsulfanylbutane (CID 88558402) is 1-prop-1-en-2-ylsulfanylbutane.
What is the SMILES notation for 1-prop-1-en-2-ylsulfanylbutane?
The canonical SMILES for 1-prop-1-en-2-ylsulfanylbutane is C=C(C)SCCCC.
What is the InChIKey of 1-prop-1-en-2-ylsulfanylbutane?
The InChIKey is RGFZNJHRJLVFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14S/c1-4-5-6-8-7(2)3/h2,4-6H2,1,3H3.
What are the key properties of 1-prop-1-en-2-ylsulfanylbutane?
1-prop-1-en-2-ylsulfanylbutane has a molecular weight of 130.26 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-en-2-ylsulfanylbutane is sourced from PubChem (CID 88558402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).