1,1,2-trifluoroethanethiol

C2H3F3S — CID 23432830

IUPAC1,1,2-trifluoroethanethiol
SMILESFCC(F)(F)S
InChIInChI=1S/C2H3F3S/c3-1-2(4,5)6/h6H,1H2
InChIKeyDXTSNKAVMJWEID-UHFFFAOYSA-N
MW116.11 g/mol
LogP1.48
Rot. Bonds1

About 1,1,2-trifluoroethanethiol

1,1,2-trifluoroethanethiol (PubChem CID 23432830) has the molecular formula C2H3F3S and a molecular weight of 116.11 g/mol. Its IUPAC name is 1,1,2-trifluoroethanethiol.

Molecular Properties

Compound Name1,1,2-trifluoroethanethiol
PubChem CID23432830
Molecular FormulaC2H3F3S
Molecular Weight116.11 g/mol
Exact Mass115.99
IUPAC Name1,1,2-trifluoroethanethiol
SMILESFCC(F)(F)S
InChIInChI=1S/C2H3F3S/c3-1-2(4,5)6/h6H,1H2
InChIKeyDXTSNKAVMJWEID-UHFFFAOYSA-N
XLogP1.48
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.11
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,2-trifluoroethanethiol 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

2,2,2-Trifluoroethanethiol
CID 4133924
Difluoroethanethiol
CID 17911591
1,1,2,2-Tetrafluoroethanethiol
CID 21652722
1h-Hexafluoro-2-propanethiol
CID 23432728
1,2,2-Trifluoroethanethiol
CID 19438382
1,1,2,2,3,3-Hexafluoropropane-1-thiol
CID 21652726
1,1,2,3,3,3-Hexafluoropropane-1-thiol
CID 22076203
1,1,3,3,3-Pentafluoropropane-1-thiol
CID 89961434
1,1,2,2,3-Pentafluoropropane-1-thiol
CID 142690835
1,1,2,3,3-Pentafluoropropane-1-thiol
CID 175432387
CID 53628580
CID 53628580
1,1-Difluoroethanethiol
CID 135993221

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trifluoroethanethiol?
The IUPAC name of 1,1,2-trifluoroethanethiol (CID 23432830) is 1,1,2-trifluoroethanethiol.
What is the SMILES notation for 1,1,2-trifluoroethanethiol?
The canonical SMILES for 1,1,2-trifluoroethanethiol is FCC(F)(F)S.
What is the InChIKey of 1,1,2-trifluoroethanethiol?
The InChIKey is DXTSNKAVMJWEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3F3S/c3-1-2(4,5)6/h6H,1H2.
What are the key properties of 1,1,2-trifluoroethanethiol?
1,1,2-trifluoroethanethiol has a molecular weight of 116.11 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluoroethanethiol is sourced from PubChem (CID 23432830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).