pent-3-ene-2-thiol

C5H10S — CID 11072706

IUPACpent-3-ene-2-thiol
SMILESCC=CC(C)S
InChIInChI=1S/C5H10S/c1-3-4-5(2)6/h3-6H,1-2H3
InChIKeyQXMQRUBDOSIQBI-UHFFFAOYSA-N
MW102.20 g/mol
LogP1.88
Rot. Bonds1

About pent-3-ene-2-thiol

pent-3-ene-2-thiol (PubChem CID 11072706) has the molecular formula C5H10S and a molecular weight of 102.20 g/mol. Its IUPAC name is pent-3-ene-2-thiol.

Molecular Properties

Compound Namepent-3-ene-2-thiol
PubChem CID11072706
Molecular FormulaC5H10S
Molecular Weight102.20 g/mol
Exact Mass102.05
IUPAC Namepent-3-ene-2-thiol
SMILESCC=CC(C)S
InChIInChI=1S/C5H10S/c1-3-4-5(2)6/h3-6H,1-2H3
InChIKeyQXMQRUBDOSIQBI-UHFFFAOYSA-N
XLogP1.88
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.20
LogP ≤ 51.88
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 pent-3-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

4-methylpent-2-ene
CID 12659
(E)-pent-3-en-2-amine
CID 13149669
(E)-4-methylpent-2-ene;propane
CID 142019888
trifluoro(3-methylhex-4-en-2-yl)-λ4-sulfane
CID 146646129
octa-3,5,7-triene-2-thiol
CID 141140060
CID 161257167
CID 161257167
(3S,4E)-3-methylhexa-1,4-diene
CID 173019569
4,8-dimethylnona-2,6-diene
CID 54128177
(2E,6E)-4,5-bis[(E)-prop-1-enyl]octa-2,6-diene;molecular iodine
CID 159367477
(Z)-2-ethyl-1-sulfanylpent-3-en-1-ol
CID 143165372
(2Z,5Z)-4-methylnona-2,5-diene
CID 144517565
(Z,2S)-2-methylpent-3-en-1-ol
CID 101124729

Frequently Asked Questions

What is the IUPAC name of pent-3-ene-2-thiol?
The IUPAC name of pent-3-ene-2-thiol (CID 11072706) is pent-3-ene-2-thiol.
What is the SMILES notation for pent-3-ene-2-thiol?
The canonical SMILES for pent-3-ene-2-thiol is CC=CC(C)S.
What is the InChIKey of pent-3-ene-2-thiol?
The InChIKey is QXMQRUBDOSIQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10S/c1-3-4-5(2)6/h3-6H,1-2H3.
What are the key properties of pent-3-ene-2-thiol?
pent-3-ene-2-thiol has a molecular weight of 102.20 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pent-3-ene-2-thiol is sourced from PubChem (CID 11072706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).