(E)-pent-1-ene-1-thiol

C5H10S — CID 19883192

IUPAC(E)-pent-1-ene-1-thiol
SMILESCCC/C=C/S
InChIInChI=1S/C5H10S/c1-2-3-4-5-6/h4-6H,2-3H2,1H3/b5-4+
InChIKeyWHSJGOHDJIXULF-SNAWJCMRSA-N
MW102.20 g/mol
LogP2.23
Rot. Bonds2

About (E)-pent-1-ene-1-thiol

(E)-pent-1-ene-1-thiol (PubChem CID 19883192) has the molecular formula C5H10S and a molecular weight of 102.20 g/mol. Its IUPAC name is (E)-pent-1-ene-1-thiol.

Molecular Properties

Compound Name(E)-pent-1-ene-1-thiol
PubChem CID19883192
Molecular FormulaC5H10S
Molecular Weight102.20 g/mol
Exact Mass102.05
IUPAC Name(E)-pent-1-ene-1-thiol
SMILESCCC/C=C/S
InChIInChI=1S/C5H10S/c1-2-3-4-5-6/h4-6H,2-3H2,1H3/b5-4+
InChIKeyWHSJGOHDJIXULF-SNAWJCMRSA-N
XLogP2.23
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.20
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-pent-1-ene-1-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

1-(Methylthio)-1-butene, (1E)-
CID 5368103
1-Buten-1-yl methyl sulfide
CID 519416
3-Ethyl-1,2-dithi-5-ene
CID 6430025
3-Butene-1-thiol
CID 4713209
Butenethiol
CID 19883204
Pentenyl sulfide
CID 57139871
1-(Methylthio)-1-butene, (1Z)-
CID 5368102
Hexa-1,5-dienyl trisulfide
CID 157009856
Pent-4-ene-1-thiol
CID 12575094
Hex-5-ene-2-thiol
CID 12575095
5-(Methylsulfanyl)pent-1-ene
CID 12659798
(E)-1-methylsulfanylpent-1-ene
CID 13814696

Frequently Asked Questions

What is the IUPAC name of (E)-pent-1-ene-1-thiol?
The IUPAC name of (E)-pent-1-ene-1-thiol (CID 19883192) is (E)-pent-1-ene-1-thiol.
What is the SMILES notation for (E)-pent-1-ene-1-thiol?
The canonical SMILES for (E)-pent-1-ene-1-thiol is CCC/C=C/S.
What is the InChIKey of (E)-pent-1-ene-1-thiol?
The InChIKey is WHSJGOHDJIXULF-SNAWJCMRSA-N. The full InChI is InChI=1S/C5H10S/c1-2-3-4-5-6/h4-6H,2-3H2,1H3/b5-4+.
What are the key properties of (E)-pent-1-ene-1-thiol?
(E)-pent-1-ene-1-thiol has a molecular weight of 102.20 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-pent-1-ene-1-thiol is sourced from PubChem (CID 19883192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).