2-methylbut-2-ene;prop-1-ene-2-thiol

C8H16S — CID 156752035

IUPAC2-methylbut-2-ene;prop-1-ene-2-thiol
SMILESC=C(C)S.CC=C(C)C
InChIInChI=1S/C5H10.C3H6S/c1-4-5(2)3;1-3(2)4/h4H,1-3H3;4H,1H2,2H3
InChIKeyBRQCSOGSKKLDTJ-UHFFFAOYSA-N
MW144.28 g/mol
LogP3.42
Rot. Bonds

About 2-methylbut-2-ene;prop-1-ene-2-thiol

2-methylbut-2-ene;prop-1-ene-2-thiol (PubChem CID 156752035) has the molecular formula C8H16S and a molecular weight of 144.28 g/mol. Its IUPAC name is 2-methylbut-2-ene;prop-1-ene-2-thiol.

Molecular Properties

Compound Name2-methylbut-2-ene;prop-1-ene-2-thiol
PubChem CID156752035
Molecular FormulaC8H16S
Molecular Weight144.28 g/mol
Exact Mass144.10
IUPAC Name2-methylbut-2-ene;prop-1-ene-2-thiol
SMILESC=C(C)S.CC=C(C)C
InChIInChI=1S/C5H10.C3H6S/c1-4-5(2)3;1-3(2)4/h4H,1-3H3;4H,1H2,2H3
InChIKeyBRQCSOGSKKLDTJ-UHFFFAOYSA-N
XLogP3.42
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.28
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-methylbut-2-ene;prop-1-ene-2-thiol 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

alumane;2-methylbut-2-ene
CID 174293100
lithium;hydride;2-methylbut-2-ene
CID 174648153
2-methylbut-2-ene;silane;hydrate
CID 174815005
2-methylbut-2-ene;N-methylpropan-2-imine
CID 161325778
ethanethioic S-acid;prop-1-ene
CID 174856563
(E)-but-2-ene;ethane;2-methylbut-2-ene
CID 144902553
(3E)-2,7-dimethylocta-1,3,6-triene-4-thiol
CID 142129414
but-2-ene;2,3-dimethylbut-2-ene;2-methylbut-2-ene
CID 163787283
acetic acid;2-methylbut-2-ene
CID 155128325
2-methylbut-2-ene;(3E)-penta-1,3-diene
CID 6441481
ethanedithioic acid;ethanethioic S-acid;methane;prop-1-ene-2-thiol
CID 161031855
ethane;(3Z)-penta-1,3-diene-2-thiol
CID 144844063

Frequently Asked Questions

What is the IUPAC name of 2-methylbut-2-ene;prop-1-ene-2-thiol?
The IUPAC name of 2-methylbut-2-ene;prop-1-ene-2-thiol (CID 156752035) is 2-methylbut-2-ene;prop-1-ene-2-thiol.
What is the SMILES notation for 2-methylbut-2-ene;prop-1-ene-2-thiol?
The canonical SMILES for 2-methylbut-2-ene;prop-1-ene-2-thiol is C=C(C)S.CC=C(C)C.
What is the InChIKey of 2-methylbut-2-ene;prop-1-ene-2-thiol?
The InChIKey is BRQCSOGSKKLDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10.C3H6S/c1-4-5(2)3;1-3(2)4/h4H,1-3H3;4H,1H2,2H3.
What are the key properties of 2-methylbut-2-ene;prop-1-ene-2-thiol?
2-methylbut-2-ene;prop-1-ene-2-thiol has a molecular weight of 144.28 g/mol, XLogP of 3.42, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbut-2-ene;prop-1-ene-2-thiol is sourced from PubChem (CID 156752035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).