1-prop-1-en-2-ylsulfanylbut-1-ene

C7H12S — CID 90761442

IUPAC1-prop-1-en-2-ylsulfanylbut-1-ene
SMILESC=C(C)SC=CCC
InChIInChI=1S/C7H12S/c1-4-5-6-8-7(2)3/h5-6H,2,4H2,1,3H3
InChIKeyXVGWSYNSNKBKJD-UHFFFAOYSA-N
MW128.24 g/mol
LogP3.18
Rot. Bonds3

About 1-prop-1-en-2-ylsulfanylbut-1-ene

1-prop-1-en-2-ylsulfanylbut-1-ene (PubChem CID 90761442) has the molecular formula C7H12S and a molecular weight of 128.24 g/mol. Its IUPAC name is 1-prop-1-en-2-ylsulfanylbut-1-ene.

Molecular Properties

Compound Name1-prop-1-en-2-ylsulfanylbut-1-ene
PubChem CID90761442
Molecular FormulaC7H12S
Molecular Weight128.24 g/mol
Exact Mass128.07
IUPAC Name1-prop-1-en-2-ylsulfanylbut-1-ene
SMILESC=C(C)SC=CCC
InChIInChI=1S/C7H12S/c1-4-5-6-8-7(2)3/h5-6H,2,4H2,1,3H3
InChIKeyXVGWSYNSNKBKJD-UHFFFAOYSA-N
XLogP3.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.24
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-prop-1-en-2-ylsulfanylbut-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(Z)-but-1-enyl]sulfanyl-4-methylpent-1-ene
CID 166851183
(Z)-3-[(E)-but-1-enyl]sulfanyl-4,4-dimethylpent-2-ene;ethane
CID 143588223
(E)-1-[(E)-but-1-enyl]sulfanylbut-1-ene
CID 12704062
ethane;(3Z)-2-methylhexa-1,3-diene
CID 142130371
1-methylsulfanylbut-1-ene
CID 519416
butane;but-1-ene;2-methylprop-1-ene
CID 158176864
S-[(Z)-but-1-enyl]thiohydroxylamine
CID 156570499
(Z)-1-ethylsulfanylbut-1-ene
CID 5463148
(3Z,5Z)-N-methyl-N-[(3Z)-penta-1,3-dien-2-yl]octa-1,3,5-trien-2-amine
CID 155240504
(E)-1-propylsulfanylbut-1-ene
CID 12664845
butane;ethane;2-methylprop-1-ene
CID 142168819
acetic acid;(Z)-hex-3-ene
CID 87142970

Frequently Asked Questions

What is the IUPAC name of 1-prop-1-en-2-ylsulfanylbut-1-ene?
The IUPAC name of 1-prop-1-en-2-ylsulfanylbut-1-ene (CID 90761442) is 1-prop-1-en-2-ylsulfanylbut-1-ene.
What is the SMILES notation for 1-prop-1-en-2-ylsulfanylbut-1-ene?
The canonical SMILES for 1-prop-1-en-2-ylsulfanylbut-1-ene is C=C(C)SC=CCC.
What is the InChIKey of 1-prop-1-en-2-ylsulfanylbut-1-ene?
The InChIKey is XVGWSYNSNKBKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12S/c1-4-5-6-8-7(2)3/h5-6H,2,4H2,1,3H3.
What are the key properties of 1-prop-1-en-2-ylsulfanylbut-1-ene?
1-prop-1-en-2-ylsulfanylbut-1-ene has a molecular weight of 128.24 g/mol, XLogP of 3.18, 3 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-ylsulfanylbut-1-ene is sourced from PubChem (CID 90761442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).