(Z)-1,2-difluoroprop-1-ene-1-thiol

C3H4F2S — CID 118479985

IUPAC(Z)-1,2-difluoroprop-1-ene-1-thiol
SMILESC/C(F)=C(\F)S
InChIInChI=1S/C3H4F2S/c1-2(4)3(5)6/h6H,1H3/b3-2-
InChIKeyMIXQNHRZWKZHMP-IHWYPQMZSA-N
MW110.13 g/mol
LogP2.04
Rot. Bonds

About (Z)-1,2-difluoroprop-1-ene-1-thiol

(Z)-1,2-difluoroprop-1-ene-1-thiol (PubChem CID 118479985) has the molecular formula C3H4F2S and a molecular weight of 110.13 g/mol. Its IUPAC name is (Z)-1,2-difluoroprop-1-ene-1-thiol.

Molecular Properties

Compound Name(Z)-1,2-difluoroprop-1-ene-1-thiol
PubChem CID118479985
Molecular FormulaC3H4F2S
Molecular Weight110.13 g/mol
Exact Mass110.00
IUPAC Name(Z)-1,2-difluoroprop-1-ene-1-thiol
SMILESC/C(F)=C(\F)S
InChIInChI=1S/C3H4F2S/c1-2(4)3(5)6/h6H,1H3/b3-2-
InChIKeyMIXQNHRZWKZHMP-IHWYPQMZSA-N
XLogP2.04
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.13
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1,2-difluoroprop-1-ene-1-thiol?
The IUPAC name of (Z)-1,2-difluoroprop-1-ene-1-thiol (CID 118479985) is (Z)-1,2-difluoroprop-1-ene-1-thiol.
What is the SMILES notation for (Z)-1,2-difluoroprop-1-ene-1-thiol?
The canonical SMILES for (Z)-1,2-difluoroprop-1-ene-1-thiol is C/C(F)=C(\F)S.
What is the InChIKey of (Z)-1,2-difluoroprop-1-ene-1-thiol?
The InChIKey is MIXQNHRZWKZHMP-IHWYPQMZSA-N. The full InChI is InChI=1S/C3H4F2S/c1-2(4)3(5)6/h6H,1H3/b3-2-.
What are the key properties of (Z)-1,2-difluoroprop-1-ene-1-thiol?
(Z)-1,2-difluoroprop-1-ene-1-thiol has a molecular weight of 110.13 g/mol, XLogP of 2.04, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,2-difluoroprop-1-ene-1-thiol is sourced from PubChem (CID 118479985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).