(2S)-1,2-difluoropropane-2-thiol

C3H6F2S — CID 87189761

IUPAC(2S)-1,2-difluoropropane-2-thiol
SMILESC[C@](F)(S)CF
InChIInChI=1S/C3H6F2S/c1-3(5,6)2-4/h6H,2H2,1H3/t3-/m0/s1
InChIKeyJDOQUCDYVHCBOV-VKHMYHEASA-N
MW112.14 g/mol
LogP1.57
Rot. Bonds1

About (2S)-1,2-difluoropropane-2-thiol

(2S)-1,2-difluoropropane-2-thiol (PubChem CID 87189761) has the molecular formula C3H6F2S and a molecular weight of 112.14 g/mol. Its IUPAC name is (2S)-1,2-difluoropropane-2-thiol.

Molecular Properties

Compound Name(2S)-1,2-difluoropropane-2-thiol
PubChem CID87189761
Molecular FormulaC3H6F2S
Molecular Weight112.14 g/mol
Exact Mass112.02
IUPAC Name(2S)-1,2-difluoropropane-2-thiol
SMILESC[C@](F)(S)CF
InChIInChI=1S/C3H6F2S/c1-3(5,6)2-4/h6H,2H2,1H3/t3-/m0/s1
InChIKeyJDOQUCDYVHCBOV-VKHMYHEASA-N
XLogP1.57
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.14
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2S)-1,2-difluoropropane-2-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 (2S)-1,2-difluoropropane-2-thiol?
The IUPAC name of (2S)-1,2-difluoropropane-2-thiol (CID 87189761) is (2S)-1,2-difluoropropane-2-thiol.
What is the SMILES notation for (2S)-1,2-difluoropropane-2-thiol?
The canonical SMILES for (2S)-1,2-difluoropropane-2-thiol is C[C@](F)(S)CF.
What is the InChIKey of (2S)-1,2-difluoropropane-2-thiol?
The InChIKey is JDOQUCDYVHCBOV-VKHMYHEASA-N. The full InChI is InChI=1S/C3H6F2S/c1-3(5,6)2-4/h6H,2H2,1H3/t3-/m0/s1.
What are the key properties of (2S)-1,2-difluoropropane-2-thiol?
(2S)-1,2-difluoropropane-2-thiol has a molecular weight of 112.14 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,2-difluoropropane-2-thiol is sourced from PubChem (CID 87189761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).