(3Z,5Z,7Z)-2-fluoro-2H-thiocine

C7H7FS — CID 142592617

IUPAC(3Z,5Z,7Z)-2-fluoro-2H-thiocine
SMILESFC1/C=C\C=C/C=C\S1
InChIInChI=1S/C7H7FS/c8-7-5-3-1-2-4-6-9-7/h1-7H/b2-1-,5-3-,6-4-
InChIKeyPTSBRILMWULGIT-XCADPSHZSA-N
MW142.20 g/mol
LogP2.65
Rot. Bonds

About (3Z,5Z,7Z)-2-fluoro-2H-thiocine

(3Z,5Z,7Z)-2-fluoro-2H-thiocine (PubChem CID 142592617) has the molecular formula C7H7FS and a molecular weight of 142.20 g/mol. Its IUPAC name is (3Z,5Z,7Z)-2-fluoro-2H-thiocine.

Molecular Properties

Compound Name(3Z,5Z,7Z)-2-fluoro-2H-thiocine
PubChem CID142592617
Molecular FormulaC7H7FS
Molecular Weight142.20 g/mol
Exact Mass142.03
IUPAC Name(3Z,5Z,7Z)-2-fluoro-2H-thiocine
SMILESFC1/C=C\C=C/C=C\S1
InChIInChI=1S/C7H7FS/c8-7-5-3-1-2-4-6-9-7/h1-7H/b2-1-,5-3-,6-4-
InChIKeyPTSBRILMWULGIT-XCADPSHZSA-N
XLogP2.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3Z,5Z,7Z)-2-fluoro-2H-thiocine 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,5Z,7Z)-2-fluoro-2H-thiocine?
The IUPAC name of (3Z,5Z,7Z)-2-fluoro-2H-thiocine (CID 142592617) is (3Z,5Z,7Z)-2-fluoro-2H-thiocine.
What is the SMILES notation for (3Z,5Z,7Z)-2-fluoro-2H-thiocine?
The canonical SMILES for (3Z,5Z,7Z)-2-fluoro-2H-thiocine is FC1/C=C\C=C/C=C\S1.
What is the InChIKey of (3Z,5Z,7Z)-2-fluoro-2H-thiocine?
The InChIKey is PTSBRILMWULGIT-XCADPSHZSA-N. The full InChI is InChI=1S/C7H7FS/c8-7-5-3-1-2-4-6-9-7/h1-7H/b2-1-,5-3-,6-4-.
What are the key properties of (3Z,5Z,7Z)-2-fluoro-2H-thiocine?
(3Z,5Z,7Z)-2-fluoro-2H-thiocine has a molecular weight of 142.20 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z,7Z)-2-fluoro-2H-thiocine is sourced from PubChem (CID 142592617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).