(3Z)-3,4-difluoro-2-methylidenehexa-3,5-diene-1-thiol

C7H8F2S — CID 142259058

IUPAC(3Z)-3,4-difluoro-2-methylidenehexa-3,5-diene-1-thiol
SMILESC=C/C(F)=C(/F)C(=C)CS
InChIInChI=1S/C7H8F2S/c1-3-6(8)7(9)5(2)4-10/h3,10H,1-2,4H2/b7-6-
InChIKeyUKKVKHOOZPZNFJ-SREVYHEPSA-N
MW162.20 g/mol
LogP2.81
Rot. Bonds3

About (3Z)-3,4-difluoro-2-methylidenehexa-3,5-diene-1-thiol

(3Z)-3,4-difluoro-2-methylidenehexa-3,5-diene-1-thiol (PubChem CID 142259058) has the molecular formula C7H8F2S and a molecular weight of 162.20 g/mol. Its IUPAC name is (3Z)-3,4-difluoro-2-methylidenehexa-3,5-diene-1-thiol.

Molecular Properties

Compound Name(3Z)-3,4-difluoro-2-methylidenehexa-3,5-diene-1-thiol
PubChem CID142259058
Molecular FormulaC7H8F2S
Molecular Weight162.20 g/mol
Exact Mass162.03
IUPAC Name(3Z)-3,4-difluoro-2-methylidenehexa-3,5-diene-1-thiol
SMILESC=C/C(F)=C(/F)C(=C)CS
InChIInChI=1S/C7H8F2S/c1-3-6(8)7(9)5(2)4-10/h3,10H,1-2,4H2/b7-6-
InChIKeyUKKVKHOOZPZNFJ-SREVYHEPSA-N
XLogP2.81
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z)-3,4-difluoro-2-methylidenehexa-3,5-diene-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

Frequently Asked Questions

What is the IUPAC name of (3Z)-3,4-difluoro-2-methylidenehexa-3,5-diene-1-thiol?
The IUPAC name of (3Z)-3,4-difluoro-2-methylidenehexa-3,5-diene-1-thiol (CID 142259058) is (3Z)-3,4-difluoro-2-methylidenehexa-3,5-diene-1-thiol.
What is the SMILES notation for (3Z)-3,4-difluoro-2-methylidenehexa-3,5-diene-1-thiol?
The canonical SMILES for (3Z)-3,4-difluoro-2-methylidenehexa-3,5-diene-1-thiol is C=C/C(F)=C(/F)C(=C)CS.
What is the InChIKey of (3Z)-3,4-difluoro-2-methylidenehexa-3,5-diene-1-thiol?
The InChIKey is UKKVKHOOZPZNFJ-SREVYHEPSA-N. The full InChI is InChI=1S/C7H8F2S/c1-3-6(8)7(9)5(2)4-10/h3,10H,1-2,4H2/b7-6-.
What are the key properties of (3Z)-3,4-difluoro-2-methylidenehexa-3,5-diene-1-thiol?
(3Z)-3,4-difluoro-2-methylidenehexa-3,5-diene-1-thiol has a molecular weight of 162.20 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3,4-difluoro-2-methylidenehexa-3,5-diene-1-thiol is sourced from PubChem (CID 142259058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).