3-methyl-4-propylsulfanylbut-1-ene

C8H16S — CID 90951175

IUPAC3-methyl-4-propylsulfanylbut-1-ene
SMILESC=CC(C)CSCCC
InChIInChI=1S/C8H16S/c1-4-6-9-7-8(3)5-2/h5,8H,2,4,6-7H2,1,3H3
InChIKeyYNVUAFHWZPHWJG-UHFFFAOYSA-N
MW144.28 g/mol
LogP2.95
Rot. Bonds5

About 3-methyl-4-propylsulfanylbut-1-ene

3-methyl-4-propylsulfanylbut-1-ene (PubChem CID 90951175) has the molecular formula C8H16S and a molecular weight of 144.28 g/mol. Its IUPAC name is 3-methyl-4-propylsulfanylbut-1-ene.

Molecular Properties

Compound Name3-methyl-4-propylsulfanylbut-1-ene
PubChem CID90951175
Molecular FormulaC8H16S
Molecular Weight144.28 g/mol
Exact Mass144.10
IUPAC Name3-methyl-4-propylsulfanylbut-1-ene
SMILESC=CC(C)CSCCC
InChIInChI=1S/C8H16S/c1-4-6-9-7-8(3)5-2/h5,8H,2,4,6-7H2,1,3H3
InChIKeyYNVUAFHWZPHWJG-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

1-propylsulfanylhex-5-en-2-ol
CID 65129712
3-methyl-1-propylsulfanylbutan-2-amine
CID 65128665
butane;3,6-dimethylocta-1,7-diene;ethane;propane
CID 144723339
N-ethyl-3-methyl-1-propylsulfanylbutan-2-amine
CID 65129210
4-methyl-1-propylsulfanylheptan-2-ol
CID 65130129
3-imino-4-methyl-5-[(2S)-2-methylbut-3-enyl]sulfanylpent-1-en-2-amine
CID 163976502
(5Z)-3-methylnona-1,5-diene
CID 145064168
carbonic acid;3-methylhex-1-ene
CID 161181273
1-bromo-2-(propylsulfanylmethyl)butane
CID 65000454
1-[2,3-bis(propylsulfanyl)propylsulfanyl]butane
CID 58986862
6-propylsulfanylhex-1-ene
CID 23466654
acetylene;3-methylhept-1-ene;propane
CID 144520771

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-propylsulfanylbut-1-ene?
The IUPAC name of 3-methyl-4-propylsulfanylbut-1-ene (CID 90951175) is 3-methyl-4-propylsulfanylbut-1-ene.
What is the SMILES notation for 3-methyl-4-propylsulfanylbut-1-ene?
The canonical SMILES for 3-methyl-4-propylsulfanylbut-1-ene is C=CC(C)CSCCC.
What is the InChIKey of 3-methyl-4-propylsulfanylbut-1-ene?
The InChIKey is YNVUAFHWZPHWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16S/c1-4-6-9-7-8(3)5-2/h5,8H,2,4,6-7H2,1,3H3.
What are the key properties of 3-methyl-4-propylsulfanylbut-1-ene?
3-methyl-4-propylsulfanylbut-1-ene 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 3-methyl-4-propylsulfanylbut-1-ene is sourced from PubChem (CID 90951175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).