hex-2-ene-3-thiol

C6H12S — CID 173099237

IUPAChex-2-ene-3-thiol
SMILESCC=C(S)CCC
InChIInChI=1S/C6H12S/c1-3-5-6(7)4-2/h4,7H,3,5H2,1-2H3
InChIKeyPFIQIJJTSARVJS-UHFFFAOYSA-N
MW116.23 g/mol
LogP2.62
Rot. Bonds2

About hex-2-ene-3-thiol

hex-2-ene-3-thiol (PubChem CID 173099237) has the molecular formula C6H12S and a molecular weight of 116.23 g/mol. Its IUPAC name is hex-2-ene-3-thiol.

Molecular Properties

Compound Namehex-2-ene-3-thiol
PubChem CID173099237
Molecular FormulaC6H12S
Molecular Weight116.23 g/mol
Exact Mass116.07
IUPAC Namehex-2-ene-3-thiol
SMILESCC=C(S)CCC
InChIInChI=1S/C6H12S/c1-3-5-6(7)4-2/h4,7H,3,5H2,1-2H3
InChIKeyPFIQIJJTSARVJS-UHFFFAOYSA-N
XLogP2.62
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.23
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze hex-2-ene-3-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

(4Z)-4-ethylidenehept-1-ene
CID 12841273
(E)-3-propan-2-ylhex-2-ene
CID 142020071
(Z)-3-[(Z)-hex-2-en-3-yl]oxyhex-2-ene
CID 87913404
3-methylidenehex-1-ene-2-thiol
CID 143714389
2-ethylidenepentane-1,1-diol
CID 174458356
4-propylhepta-2,3-diene
CID 134994886
3,4,5-trimethylocta-2,4-diene
CID 54130832
methane;2-methylpent-1-ene;bis(prop-1-ene)
CID 159090973
(3E)-3-ethylidene-2-methylhex-1-ene
CID 143524978
(E)-3-(trifluoromethyl)hex-2-ene
CID 145226506
N,N-diethylhex-2-en-3-amine
CID 76766203
(E)-4,5-dimethyloct-4-ene
CID 12714364

Frequently Asked Questions

What is the IUPAC name of hex-2-ene-3-thiol?
The IUPAC name of hex-2-ene-3-thiol (CID 173099237) is hex-2-ene-3-thiol.
What is the SMILES notation for hex-2-ene-3-thiol?
The canonical SMILES for hex-2-ene-3-thiol is CC=C(S)CCC.
What is the InChIKey of hex-2-ene-3-thiol?
The InChIKey is PFIQIJJTSARVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12S/c1-3-5-6(7)4-2/h4,7H,3,5H2,1-2H3.
What are the key properties of hex-2-ene-3-thiol?
hex-2-ene-3-thiol has a molecular weight of 116.23 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hex-2-ene-3-thiol is sourced from PubChem (CID 173099237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).