(Z)-2-(trifluoromethyl)pent-3-ene-1-thiol

C6H9F3S — CID 163779527

IUPAC(Z)-2-(trifluoromethyl)pent-3-ene-1-thiol
SMILESC/C=C\C(CS)C(F)(F)F
InChIInChI=1S/C6H9F3S/c1-2-3-5(4-10)6(7,8)9/h2-3,5,10H,4H2,1H3/b3-2-
InChIKeyMNLVXOSKEYWRFV-IHWYPQMZSA-N
MW170.20 g/mol
LogP2.67
Rot. Bonds2

About (Z)-2-(trifluoromethyl)pent-3-ene-1-thiol

(Z)-2-(trifluoromethyl)pent-3-ene-1-thiol (PubChem CID 163779527) has the molecular formula C6H9F3S and a molecular weight of 170.20 g/mol. Its IUPAC name is (Z)-2-(trifluoromethyl)pent-3-ene-1-thiol.

Molecular Properties

Compound Name(Z)-2-(trifluoromethyl)pent-3-ene-1-thiol
PubChem CID163779527
Molecular FormulaC6H9F3S
Molecular Weight170.20 g/mol
Exact Mass170.04
IUPAC Name(Z)-2-(trifluoromethyl)pent-3-ene-1-thiol
SMILESC/C=C\C(CS)C(F)(F)F
InChIInChI=1S/C6H9F3S/c1-2-3-5(4-10)6(7,8)9/h2-3,5,10H,4H2,1H3/b3-2-
InChIKeyMNLVXOSKEYWRFV-IHWYPQMZSA-N
XLogP2.67
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.20
LogP ≤ 52.67
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 (Z)-2-(trifluoromethyl)pent-3-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

7,7-Difluorohept-2-ene-1-thiol
CID 91403533
2,2-Difluorohex-4-ene-1-thiol
CID 123351213
(E)-7,7-difluorooct-5-ene-2-thiol
CID 144463919
(E)-2-(3,3,3-trifluoroprop-1-en-2-yl)but-2-ene-1-thiol
CID 145039546
(E)-1,1-difluoro-5-methylhex-2-ene-1-thiol
CID 147068950
(E)-3,3-difluoro-7-methyloct-4-ene-2-thiol
CID 148725120
(E)-1,1-difluoro-4-methyl-1-methylsulfanylpent-2-ene
CID 155082560
(Z)-1,1-difluoro-4-methyl-1-methylsulfanylpent-2-ene
CID 170101557
4,5,5,5-Tetrafluoro-4-(trifluoromethyl)pent-2-ene-1-thiol
CID 173566934
5,5,5-Trifluoropent-3-ene-1-thiol
CID 173570897
5,5-Difluoro-6-methylhept-3-ene-2-thiol
CID 173696435
(Z)-5,5-difluoro-6-methylhept-3-ene-2-thiol
CID 129288006

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(trifluoromethyl)pent-3-ene-1-thiol?
The IUPAC name of (Z)-2-(trifluoromethyl)pent-3-ene-1-thiol (CID 163779527) is (Z)-2-(trifluoromethyl)pent-3-ene-1-thiol.
What is the SMILES notation for (Z)-2-(trifluoromethyl)pent-3-ene-1-thiol?
The canonical SMILES for (Z)-2-(trifluoromethyl)pent-3-ene-1-thiol is C/C=C\C(CS)C(F)(F)F.
What is the InChIKey of (Z)-2-(trifluoromethyl)pent-3-ene-1-thiol?
The InChIKey is MNLVXOSKEYWRFV-IHWYPQMZSA-N. The full InChI is InChI=1S/C6H9F3S/c1-2-3-5(4-10)6(7,8)9/h2-3,5,10H,4H2,1H3/b3-2-.
What are the key properties of (Z)-2-(trifluoromethyl)pent-3-ene-1-thiol?
(Z)-2-(trifluoromethyl)pent-3-ene-1-thiol has a molecular weight of 170.20 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(trifluoromethyl)pent-3-ene-1-thiol is sourced from PubChem (CID 163779527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).